lithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate

C118H172F4LiN18O16S10- — CID 160505426

IUPAClithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate
SMILESC.C1CCOC1.C1CCOC1.CC(=O)Nc1sc2c(c1-c1nc(C)c(C)s1)CCN(C(=O)OC(C)(C)C)C2.CC(=O)Nc1sc2c(c1-c1nc(C)c(C)s1)CCNC2.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCN1CCc2c(sc(NC(C)=O)c2-c2nc(C)c(C)s2)C1.Cc1nc(-c2c(N)sc3c2CCN(C(=O)OC(C)(C)C)C3)sc1C.Cc1nc(C(C#N)=C2CCN(C(=O)OC(C)(C)C)CC2)sc1C.Cc1nc(CC#N)sc1C.O=C([O-])C(F)(F)F.[2H]CC.[2H]CF.[CH2-]CCC.[Li+]
InChIInChI=1S/C19H25N3O3S2.C17H23N3O2S2.C17H23N3O2S.C16H21N3OS2.C14H17N3OS2.C10H17NO3.C7H8N2S.2C4H8O.C4H9.C2HF3O2.C2H6.CH3F.CH4.Li/c1-10-11(2)26-16(20-10)15-13-7-8-22(18(24)25-19(4,5)6)9-14(13)27-17(15)21-12(3)23;1-9-10(2)23-15(19-9)13-11-6-7-20(8-12(11)24-14(13)18)16(21)22-17(3,4)5;1-11-12(2)23-15(19-11)14(10-18)13-6-8-20(9-7-13)16(21)22-17(3,4)5;1-5-19-7-6-12-13(8-19)22-16(18-11(4)20)14(12)15-17-9(2)10(3)21-15;1-7-8(2)19-13(16-7)12-10-4-5-15-6-11(10)20-14(12)17-9(3)18;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-5-6(2)10-7(9-5)3-4-8;2*1-2-4-5-3-1;1-3-4-2;3-2(4,5)1(6)7;2*1-2;;/h7-9H2,1-6H3,(H,21,23);6-8,18H2,1-5H3;6-9H2,1-5H3;5-8H2,1-4H3,(H,18,20);15H,4-6H2,1-3H3,(H,17,18);4-7H2,1-3H3;3H2,1-2H3;2*1-4H2;1,3-4H2,2H3;(H,6,7);1-2H3;1H3;1H4;/q;;;;;;;;;-1;;;;;+1/p-1/i;;;;;;;;;;;2*1D;;
InChIKeyBRPRQABBLMGNBH-ZWPUPYHWSA-M
MW2504.40 g/mol
LogP25.27
Rot. Bonds11

About lithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate

lithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate (PubChem CID 160505426) has the molecular formula C118H172F4LiN18O16S10- and a molecular weight of 2504.40 g/mol. Its IUPAC name is lithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate.

Molecular Properties

Compound Namelithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate
PubChem CID160505426
Molecular FormulaC118H172F4LiN18O16S10-
Molecular Weight2504.40 g/mol
Exact Mass2502.06
IUPAC Namelithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate
SMILESC.C1CCOC1.C1CCOC1.CC(=O)Nc1sc2c(c1-c1nc(C)c(C)s1)CCN(C(=O)OC(C)(C)C)C2.CC(=O)Nc1sc2c(c1-c1nc(C)c(C)s1)CCNC2.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCN1CCc2c(sc(NC(C)=O)c2-c2nc(C)c(C)s2)C1.Cc1nc(-c2c(N)sc3c2CCN(C(=O)OC(C)(C)C)C3)sc1C.Cc1nc(C(C#N)=C2CCN(C(=O)OC(C)(C)C)CC2)sc1C.Cc1nc(CC#N)sc1C.O=C([O-])C(F)(F)F.[2H]CC.[2H]CF.[CH2-]CCC.[Li+]
InChIInChI=1S/C19H25N3O3S2.C17H23N3O2S2.C17H23N3O2S.C16H21N3OS2.C14H17N3OS2.C10H17NO3.C7H8N2S.2C4H8O.C4H9.C2HF3O2.C2H6.CH3F.CH4.Li/c1-10-11(2)26-16(20-10)15-13-7-8-22(18(24)25-19(4,5)6)9-14(13)27-17(15)21-12(3)23;1-9-10(2)23-15(19-9)13-11-6-7-20(8-12(11)24-14(13)18)16(21)22-17(3,4)5;1-11-12(2)23-15(19-11)14(10-18)13-6-8-20(9-7-13)16(21)22-17(3,4)5;1-5-19-7-6-12-13(8-19)22-16(18-11(4)20)14(12)15-17-9(2)10(3)21-15;1-7-8(2)19-13(16-7)12-10-4-5-15-6-11(10)20-14(12)17-9(3)18;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-5-6(2)10-7(9-5)3-4-8;2*1-2-4-5-3-1;1-3-4-2;3-2(4,5)1(6)7;2*1-2;;/h7-9H2,1-6H3,(H,21,23);6-8,18H2,1-5H3;6-9H2,1-5H3;5-8H2,1-4H3,(H,18,20);15H,4-6H2,1-3H3,(H,17,18);4-7H2,1-3H3;3H2,1-2H3;2*1-4H2;1,3-4H2,2H3;(H,6,7);1-2H3;1H3;1H4;/q;;;;;;;;;-1;;;;;+1/p-1/i;;;;;;;;;;;2*1D;;
InChIKeyBRPRQABBLMGNBH-ZWPUPYHWSA-M
XLogP25.27
TPSA447.33 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds11
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002504.40
LogP ≤ 525.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze lithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate with MolForge

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Launch Full Analysis

Related Compounds

2-(1,3-benzothiazol-2-yl)acetonitrile;N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide;tert-butyl 2-acetamido-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterio(fluoro)methane;methane;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
CID 159723832
2-(1,3-benzothiazol-2-yl)acetonitrile;N-[3-(1,3-benzothiazol-2-yl)-5-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;tert-butyl 2-acetamido-3-(1,3-benzothiazol-2-yl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-acetamido-3-(1,3-benzothiazol-2-yl)-7-(trifluoromethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-7-(trifluoromethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-oxo-2-(trifluoromethyl)piperidine-1-carboxylate
CID 161502248

Frequently Asked Questions

What is the IUPAC name of lithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate?
The IUPAC name of lithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate (CID 160505426) is lithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate.
What is the SMILES notation for lithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate?
The canonical SMILES for lithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate is C.C1CCOC1.C1CCOC1.CC(=O)Nc1sc2c(c1-c1nc(C)c(C)s1)CCN(C(=O)OC(C)(C)C)C2.CC(=O)Nc1sc2c(c1-c1nc(C)c(C)s1)CCNC2.CC(C)(C)OC(=O)N1CCC(=O)CC1.CCN1CCc2c(sc(NC(C)=O)c2-c2nc(C)c(C)s2)C1.Cc1nc(-c2c(N)sc3c2CCN(C(=O)OC(C)(C)C)C3)sc1C.Cc1nc(C(C#N)=C2CCN(C(=O)OC(C)(C)C)CC2)sc1C.Cc1nc(CC#N)sc1C.O=C([O-])C(F)(F)F.[2H]CC.[2H]CF.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate?
The InChIKey is BRPRQABBLMGNBH-ZWPUPYHWSA-M. The full InChI is InChI=1S/C19H25N3O3S2.C17H23N3O2S2.C17H23N3O2S.C16H21N3OS2.C14H17N3OS2.C10H17NO3.C7H8N2S.2C4H8O.C4H9.C2HF3O2.C2H6.CH3F.CH4.Li/c1-10-11(2)26-16(20-10)15-13-7-8-22(18(24)25-19(4,5)6)9-14(13)27-17(15)21-12(3)23;1-9-10(2)23-15(19-9)13-11-6-7-20(8-12(11)24-14(13)18)16(21)22-17(3,4)5;1-11-12(2)23-15(19-11)14(10-18)13-6-8-20(9-7-13)16(21)22-17(3,4)5;1-5-19-7-6-12-13(8-19)22-16(18-11(4)20)14(12)15-17-9(2)10(3)21-15;1-7-8(2)19-13(16-7)12-10-4-5-15-6-11(10)20-14(12)17-9(3)18;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;1-5-6(2)10-7(9-5)3-4-8;2*1-2-4-5-3-1;1-3-4-2;3-2(4,5)1(6)7;2*1-2;;/h7-9H2,1-6H3,(H,21,23);6-8,18H2,1-5H3;6-9H2,1-5H3;5-8H2,1-4H3,(H,18,20);15H,4-6H2,1-3H3,(H,17,18);4-7H2,1-3H3;3H2,1-2H3;2*1-4H2;1,3-4H2,2H3;(H,6,7);1-2H3;1H3;1H4;/q;;;;;;;;;-1;;;;;+1/p-1/i;;;;;;;;;;;2*1D;;.
What are the key properties of lithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate?
lithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate has a molecular weight of 2504.40 g/mol, XLogP of 25.27, 11 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butane;tert-butyl 2-acetamido-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(4,5-dimethyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-[cyano-(4,5-dimethyl-1,3-thiazol-2-yl)methylidene]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;deuterioethane;deuterio(fluoro)methane;2-(4,5-dimethyl-1,3-thiazol-2-yl)acetonitrile;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide;N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]acetamide;methane;oxolane;2,2,2-trifluoroacetate is sourced from PubChem (CID 160505426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).