N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide

C27H33N5O3S — CID 90036058

IUPACN-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC1(C(=O)Nc2ccc3c(C(=O)NC4CCCCC4)c(NC(=O)c4cscn4)[nH]c3c2)CCCCC1
InChIInChI=1S/C27H33N5O3S/c1-27(12-6-3-7-13-27)26(35)30-18-10-11-19-20(14-18)31-23(32-24(33)21-15-36-16-28-21)22(19)25(34)29-17-8-4-2-5-9-17/h10-11,14-17,31H,2-9,12-13H2,1H3,(H,29,34)(H,30,35)(H,32,33)
InChIKeyOCOMCLRCSPJQKV-UHFFFAOYSA-N
MW507.66 g/mol
LogP5.85
Rot. Bonds6

About N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide

N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 90036058) has the molecular formula C27H33N5O3S and a molecular weight of 507.66 g/mol. Its IUPAC name is N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID90036058
Molecular FormulaC27H33N5O3S
Molecular Weight507.66 g/mol
Exact Mass507.23
IUPAC NameN-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCC1(C(=O)Nc2ccc3c(C(=O)NC4CCCCC4)c(NC(=O)c4cscn4)[nH]c3c2)CCCCC1
InChIInChI=1S/C27H33N5O3S/c1-27(12-6-3-7-13-27)26(35)30-18-10-11-19-20(14-18)31-23(32-24(33)21-15-36-16-28-21)22(19)25(34)29-17-8-4-2-5-9-17/h10-11,14-17,31H,2-9,12-13H2,1H3,(H,29,34)(H,30,35)(H,32,33)
InChIKeyOCOMCLRCSPJQKV-UHFFFAOYSA-N
XLogP5.85
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.66
LogP ≤ 55.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
CID 73056034
N-[3-(cyclopropylcarbamoyl)-6-[3,3-dimethylbutanoyl(methyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
CID 73054034
2-N-cyclohexyl-6-N-cyclopropyl-2-N-methyl-5-(1,3-thiazole-4-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide
CID 90035522
N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 73054031
N-[6-[3,3-dimethylbutanoyl(methyl)amino]-3-(ethylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
CID 123677916
N-(3,3-dimethylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 115880619
N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23113297
2-N-cyclohexyl-6-N-cyclopropyl-3-methyl-5-(pyridine-2-carbonylamino)-4H-thieno[3,2-b]pyrrole-2,6-dicarboxamide
CID 90035896
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide
CID 78926012
N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide
CID 63050141
N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 63050132

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide (CID 90036058) is N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide is CC1(C(=O)Nc2ccc3c(C(=O)NC4CCCCC4)c(NC(=O)c4cscn4)[nH]c3c2)CCCCC1.
What is the InChIKey of N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is OCOMCLRCSPJQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3S/c1-27(12-6-3-7-13-27)26(35)30-18-10-11-19-20(14-18)31-23(32-24(33)21-15-36-16-28-21)22(19)25(34)29-17-8-4-2-5-9-17/h10-11,14-17,31H,2-9,12-13H2,1H3,(H,29,34)(H,30,35)(H,32,33).
What are the key properties of N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide?
N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 507.66 g/mol, XLogP of 5.85, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90036058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).