1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide

C23H20N4O3S — CID 143049849

IUPAC1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide
SMILESCn1cc(C(=O)Nc2nccs2)c2ccccc21.Cn1cc(C(=O)O)c2ccccc21
InChIInChI=1S/C13H11N3OS.C10H9NO2/c1-16-8-10(9-4-2-3-5-11(9)16)12(17)15-13-14-6-7-18-13;1-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-8H,1H3,(H,14,15,17);2-6H,1H3,(H,12,13)
InChIKeyOVVINAFQTPZIMG-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.76
Rot. Bonds3

About 1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide

1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide (PubChem CID 143049849) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide
PubChem CID143049849
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide
SMILESCn1cc(C(=O)Nc2nccs2)c2ccccc21.Cn1cc(C(=O)O)c2ccccc21
InChIInChI=1S/C13H11N3OS.C10H9NO2/c1-16-8-10(9-4-2-3-5-11(9)16)12(17)15-13-14-6-7-18-13;1-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-8H,1H3,(H,14,15,17);2-6H,1H3,(H,12,13)
InChIKeyOVVINAFQTPZIMG-UHFFFAOYSA-N
XLogP4.76
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-methyl-1-{2-[(4-methyl-1,3-benzothiazol-2-YL)carbamoyl]ethyl}-5-phenyl-1H-pyrrole-3-carboxylate
CID 4520917
2-[[1-(1,3-Thiazol-4-ylmethyl)indole-3-carbonyl]amino]benzoic acid
CID 172688327
2-[[5-Cyano-1-(pyridin-2-ylmethyl)indole-3-carbonyl]amino]-1,3-thiazole-5-carboxylic acid
CID 172741705
2-[[1-(Thiophen-2-ylmethyl)indole-3-carbonyl]amino]benzoic acid
CID 172786890
1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)indole-3-carboxamide
CID 166626430
Ethyl 2-methyl-5-(4-methylphenyl)-1-{2-[(1,3-thiazol-2-YL)carbamoyl]ethyl}-1H-pyrrole-3-carboxylate
CID 45106297
ethyl 2-[(E)-[(5Z)-5-[(1-benzylindol-3-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155569203
4-{[(2-oxoindolin-3-ylidene)methyl]amino}-N-(thiazol-2-yl)benzamide
CID 168430150
6-fluoro-1-isopropyl-1H-indole-3-carboxylic acid thiazol-2-ylamide
CID 10357612
1-(3-Fluoro-benzyl)-1H-indole-3-carboxylic acid thiazol-2-ylamide
CID 11002636
6-fluoro-1-(pyridin-4-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide
CID 58217428
6-fluoro-1-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)indole-3-carboxamide
CID 58217486

Frequently Asked Questions

What is the IUPAC name of 1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The IUPAC name of 1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide (CID 143049849) is 1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide.
What is the SMILES notation for 1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The canonical SMILES for 1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide is Cn1cc(C(=O)Nc2nccs2)c2ccccc21.Cn1cc(C(=O)O)c2ccccc21.
What is the InChIKey of 1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
The InChIKey is OVVINAFQTPZIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS.C10H9NO2/c1-16-8-10(9-4-2-3-5-11(9)16)12(17)15-13-14-6-7-18-13;1-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-8H,1H3,(H,14,15,17);2-6H,1H3,(H,12,13).
What are the key properties of 1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide?
1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindole-3-carboxylic acid;1-methyl-N-(1,3-thiazol-2-yl)indole-3-carboxamide is sourced from PubChem (CID 143049849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).