1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid

C19H20N4O4S — CID 59001193

IUPAC1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2nc3c(s2)c(C(=O)O)nn3C2CCCCC2)cc1
InChIInChI=1S/C19H20N4O4S/c1-27-13-9-7-11(8-10-13)17(24)21-19-20-16-15(28-19)14(18(25)26)22-23(16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,25,26)(H,20,21,24)
InChIKeyKFLQMLXEOWHTFE-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.96
Rot. Bonds5

About 1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid

1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid (PubChem CID 59001193) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
PubChem CID59001193
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2nc3c(s2)c(C(=O)O)nn3C2CCCCC2)cc1
InChIInChI=1S/C19H20N4O4S/c1-27-13-9-7-11(8-10-13)17(24)21-19-20-16-15(28-19)14(18(25)26)22-23(16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,25,26)(H,20,21,24)
InChIKeyKFLQMLXEOWHTFE-UHFFFAOYSA-N
XLogP3.96
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid with MolForge

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Related Compounds

N-[1-tert-butyl-3-(4-hydroxypiperidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methoxybenzamide
CID 59001494
N-[1-tert-butyl-3-(3-hydroxypiperidine-1-carbonyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]-4-methoxybenzamide
CID 59001442
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
1-tert-butyl-5-[(4-methoxybenzoyl)amino]-N-methyl-N-[(1R,2R)-2-morpholin-4-ylcyclohexyl]pyrazolo[5,4-d][1,3]thiazole-3-carboxamide
CID 59001480
N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
CID 24816610
1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836213
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
N-(2-cyclopentylbenzotriazol-5-yl)-4-methoxybenzamide
CID 14638297
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 82342440
4-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 16945530
5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 50782152
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The IUPAC name of 1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid (CID 59001193) is 1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid is COc1ccc(C(=O)Nc2nc3c(s2)c(C(=O)O)nn3C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
The InChIKey is KFLQMLXEOWHTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-27-13-9-7-11(8-10-13)17(24)21-19-20-16-15(28-19)14(18(25)26)22-23(16)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,25,26)(H,20,21,24).
What are the key properties of 1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid?
1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid has a molecular weight of 400.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid is sourced from PubChem (CID 59001193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).