bis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide

C121H170N24O4S11 — CID 161264316

IUPACbis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(C2CCCN2C)n1.CN1CCCC1c1nc(-c2ccccc2)cs1.CN1CCCC1c1nc(C(N)=O)cs1.COC(=O)c1csc(C2CCCN2C)n1.Cc1csc(C2CCCN2C)n1.Cc1csc(C2CCCN2C)n1.Cc1csc(C2CCCN2C)n1.Cc1nc(C2CCCN2C)sc1-c1ccccc1.Cc1nc(C2CCCN2C)sc1C.Cc1nc(C2CCCN2C)sc1C.Cc1sc(C2CCCN2C)nc1-c1ccccc1
InChIInChI=1S/2C15H18N2S.C14H16N2S.C11H17N3OS.C10H14N2O2S.2C10H16N2S.C9H13N3OS.3C9H14N2S/c1-11-14(12-7-4-3-5-8-12)16-15(18-11)13-9-6-10-17(13)2;1-11-14(12-7-4-3-5-8-12)18-15(16-11)13-9-6-10-17(13)2;1-16-9-5-8-13(16)14-15-12(10-17-14)11-6-3-2-4-7-11;1-13(2)11(15)8-7-16-10(12-8)9-5-4-6-14(9)3;1-12-5-3-4-8(12)9-11-7(6-15-9)10(13)14-2;2*1-7-8(2)13-10(11-7)9-5-4-6-12(9)3;1-12-4-2-3-7(12)9-11-6(5-14-9)8(10)13;3*1-7-6-12-9(10-7)8-4-3-5-11(8)2/h2*3-5,7-8,13H,6,9-10H2,1-2H3;2-4,6-7,10,13H,5,8-9H2,1H3;7,9H,4-6H2,1-3H3;6,8H,3-5H2,1-2H3;2*9H,4-6H2,1-3H3;5,7H,2-4H2,1H3,(H2,10,13);3*6,8H,3-5H2,1-2H3
InChIKeyVCYXGTKVXSWADO-UHFFFAOYSA-N
MW2377.59 g/mol
LogP27.37
Rot. Bonds17

About bis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide

bis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 161264316) has the molecular formula C121H170N24O4S11 and a molecular weight of 2377.59 g/mol. Its IUPAC name is bis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Namebis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID161264316
Molecular FormulaC121H170N24O4S11
Molecular Weight2377.59 g/mol
Exact Mass2375.08
IUPAC Namebis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(C2CCCN2C)n1.CN1CCCC1c1nc(-c2ccccc2)cs1.CN1CCCC1c1nc(C(N)=O)cs1.COC(=O)c1csc(C2CCCN2C)n1.Cc1csc(C2CCCN2C)n1.Cc1csc(C2CCCN2C)n1.Cc1csc(C2CCCN2C)n1.Cc1nc(C2CCCN2C)sc1-c1ccccc1.Cc1nc(C2CCCN2C)sc1C.Cc1nc(C2CCCN2C)sc1C.Cc1sc(C2CCCN2C)nc1-c1ccccc1
InChIInChI=1S/2C15H18N2S.C14H16N2S.C11H17N3OS.C10H14N2O2S.2C10H16N2S.C9H13N3OS.3C9H14N2S/c1-11-14(12-7-4-3-5-8-12)16-15(18-11)13-9-6-10-17(13)2;1-11-14(12-7-4-3-5-8-12)18-15(16-11)13-9-6-10-17(13)2;1-16-9-5-8-13(16)14-15-12(10-17-14)11-6-3-2-4-7-11;1-13(2)11(15)8-7-16-10(12-8)9-5-4-6-14(9)3;1-12-5-3-4-8(12)9-11-7(6-15-9)10(13)14-2;2*1-7-8(2)13-10(11-7)9-5-4-6-12(9)3;1-12-4-2-3-7(12)9-11-6(5-14-9)8(10)13;3*1-7-6-12-9(10-7)8-4-3-5-11(8)2/h2*3-5,7-8,13H,6,9-10H2,1-2H3;2-4,6-7,10,13H,5,8-9H2,1H3;7,9H,4-6H2,1-3H3;6,8H,3-5H2,1-2H3;2*9H,4-6H2,1-3H3;5,7H,2-4H2,1H3,(H2,10,13);3*6,8H,3-5H2,1-2H3
InChIKeyVCYXGTKVXSWADO-UHFFFAOYSA-N
XLogP27.37
TPSA267.13 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds17
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002377.59
LogP ≤ 527.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Analyze bis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of bis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide (CID 161264316) is bis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for bis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for bis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide is CN(C)C(=O)c1csc(C2CCCN2C)n1.CN1CCCC1c1nc(-c2ccccc2)cs1.CN1CCCC1c1nc(C(N)=O)cs1.COC(=O)c1csc(C2CCCN2C)n1.Cc1csc(C2CCCN2C)n1.Cc1csc(C2CCCN2C)n1.Cc1csc(C2CCCN2C)n1.Cc1nc(C2CCCN2C)sc1-c1ccccc1.Cc1nc(C2CCCN2C)sc1C.Cc1nc(C2CCCN2C)sc1C.Cc1sc(C2CCCN2C)nc1-c1ccccc1.
What is the InChIKey of bis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VCYXGTKVXSWADO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18N2S.C14H16N2S.C11H17N3OS.C10H14N2O2S.2C10H16N2S.C9H13N3OS.3C9H14N2S/c1-11-14(12-7-4-3-5-8-12)16-15(18-11)13-9-6-10-17(13)2;1-11-14(12-7-4-3-5-8-12)18-15(16-11)13-9-6-10-17(13)2;1-16-9-5-8-13(16)14-15-12(10-17-14)11-6-3-2-4-7-11;1-13(2)11(15)8-7-16-10(12-8)9-5-4-6-14(9)3;1-12-5-3-4-8(12)9-11-7(6-15-9)10(13)14-2;2*1-7-8(2)13-10(11-7)9-5-4-6-12(9)3;1-12-4-2-3-7(12)9-11-6(5-14-9)8(10)13;3*1-7-6-12-9(10-7)8-4-3-5-11(8)2/h2*3-5,7-8,13H,6,9-10H2,1-2H3;2-4,6-7,10,13H,5,8-9H2,1H3;7,9H,4-6H2,1-3H3;6,8H,3-5H2,1-2H3;2*9H,4-6H2,1-3H3;5,7H,2-4H2,1H3,(H2,10,13);3*6,8H,3-5H2,1-2H3.
What are the key properties of bis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide?
bis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 2377.59 g/mol, XLogP of 27.37, 17 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);N,N-dimethyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide;4-methyl-2-(1-methylpyrrolidin-2-yl)-5-phenyl-1,3-thiazole;5-methyl-2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;tris(4-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);methyl 2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxylate;2-(1-methylpyrrolidin-2-yl)-4-phenyl-1,3-thiazole;2-(1-methylpyrrolidin-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 161264316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).