lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide

C29H23LiN4O7S2 — CID 159302887

IUPAClithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide
SMILESCOC(=O)c1nc(C(=O)c2c[nH]c3ccccc23)sc1C.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)O.[Li+].[OH-]
InChIInChI=1S/C15H12N2O3S.C14H10N2O3S.Li.H2O/c1-8-12(15(19)20-2)17-14(21-8)13(18)10-7-16-11-6-4-3-5-9(10)11;1-7-11(14(18)19)16-13(20-7)12(17)9-6-15-10-5-3-2-4-8(9)10;;/h3-7,16H,1-2H3;2-6,15H,1H3,(H,18,19);;1H2/q;;+1;/p-1
InChIKeyLBOBGDVOWVGRPM-UHFFFAOYSA-M
MW610.60 g/mol
LogP2.64
Rot. Bonds6

About lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide

lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide (PubChem CID 159302887) has the molecular formula C29H23LiN4O7S2 and a molecular weight of 610.60 g/mol. Its IUPAC name is lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide.

Molecular Properties

Compound Namelithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide
PubChem CID159302887
Molecular FormulaC29H23LiN4O7S2
Molecular Weight610.60 g/mol
Exact Mass610.12
IUPAC Namelithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide
SMILESCOC(=O)c1nc(C(=O)c2c[nH]c3ccccc23)sc1C.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)O.[Li+].[OH-]
InChIInChI=1S/C15H12N2O3S.C14H10N2O3S.Li.H2O/c1-8-12(15(19)20-2)17-14(21-8)13(18)10-7-16-11-6-4-3-5-9(10)11;1-7-11(14(18)19)16-13(20-7)12(17)9-6-15-10-5-3-2-4-8(9)10;;/h3-7,16H,1-2H3;2-6,15H,1H3,(H,18,19);;1H2/q;;+1;/p-1
InChIKeyLBOBGDVOWVGRPM-UHFFFAOYSA-M
XLogP2.64
TPSA185.10 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.60
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide with MolForge

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Related Compounds

1-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazol-4-yl]ethanone
CID 156795885
2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl chloride
CID 156505409
methyl 5-ethyl-2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 159987848
2-[2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carbonyl]oxyethyl-trimethylazanium
CID 161203911
(1,1-dimethylpiperidin-1-ium-4-yl) 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;ethane
CID 156795825
N-[2-[2-(dimethylamino)ethoxy]ethyl]-2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 156515483
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate
CID 148584588
methyl 3-(1H-indole-3-carbonyl)pyridine-4-carboxylate
CID 11737569
methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139570456

Frequently Asked Questions

What is the IUPAC name of lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide?
The IUPAC name of lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide (CID 159302887) is lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide.
What is the SMILES notation for lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide?
The canonical SMILES for lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide is COC(=O)c1nc(C(=O)c2c[nH]c3ccccc23)sc1C.Cc1sc(C(=O)c2c[nH]c3ccccc23)nc1C(=O)O.[Li+].[OH-].
What is the InChIKey of lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide?
The InChIKey is LBOBGDVOWVGRPM-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12N2O3S.C14H10N2O3S.Li.H2O/c1-8-12(15(19)20-2)17-14(21-8)13(18)10-7-16-11-6-4-3-5-9(10)11;1-7-11(14(18)19)16-13(20-7)12(17)9-6-15-10-5-3-2-4-8(9)10;;/h3-7,16H,1-2H3;2-6,15H,1H3,(H,18,19);;1H2/q;;+1;/p-1.
What are the key properties of lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide?
lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide has a molecular weight of 610.60 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-5-methyl-1,3-thiazole-4-carboxylate;hydroxide is sourced from PubChem (CID 159302887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).