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

C27H33N5O3S — CID 73056034

IUPACN-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc2c(C(=O)NC3CCCCC3)c(NC(=O)c3cscn3)[nH]c2c1
InChIInChI=1S/C27H33N5O3S/c1-32(27(35)17-8-4-2-5-9-17)19-12-13-20-21(14-19)30-24(31-25(33)22-15-36-16-28-22)23(20)26(34)29-18-10-6-3-7-11-18/h12-18,30H,2-11H2,1H3,(H,29,34)(H,31,33)
InChIKeyKIAKVYVMOORQOQ-UHFFFAOYSA-N
MW507.66 g/mol
LogP5.48
Rot. Bonds6

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

N-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 73056034) has the molecular formula C27H33N5O3S and a molecular weight of 507.66 g/mol. Its IUPAC name is N-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID73056034
Molecular FormulaC27H33N5O3S
Molecular Weight507.66 g/mol
Exact Mass507.23
IUPAC NameN-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)C1CCCCC1)c1ccc2c(C(=O)NC3CCCCC3)c(NC(=O)c3cscn3)[nH]c2c1
InChIInChI=1S/C27H33N5O3S/c1-32(27(35)17-8-4-2-5-9-17)19-12-13-20-21(14-19)30-24(31-25(33)22-15-36-16-28-22)23(20)26(34)29-18-10-6-3-7-11-18/h12-18,30H,2-11H2,1H3,(H,29,34)(H,31,33)
InChIKeyKIAKVYVMOORQOQ-UHFFFAOYSA-N
XLogP5.48
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.66
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopropylcarbamoyl)-6-[3,3-dimethylbutanoyl(methyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
CID 73054034
6-[cyclohexanecarbonyl(methyl)amino]-N-cyclopropyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide
CID 73055443
N-[3-(cyclohexylcarbamoyl)-6-[(1-methylcyclohexanecarbonyl)amino]-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
CID 90036058
N-[6-[3,3-dimethylbutanoyl(methyl)amino]-3-(ethylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide
CID 123677916
6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide
CID 73055442
6-[cyclopentanecarbonyl(methyl)amino]-N-ethyl-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxamide
CID 73054304
ethyl 6-[cyclohexanecarbonyl(methyl)amino]-2-(thiophene-2-carbonylamino)-1H-indole-3-carboxylate
CID 73056316
6-[cyclohexanecarbonyl(methyl)amino]-2-[(3-fluoro-6-methylcyclohexa-1,3-diene-1-carbonyl)amino]-N-methyl-1H-indole-3-carboxamide
CID 144568392
2-[(4-cyanocyclohexa-1,3-diene-1-carbonyl)amino]-6-[cyclohexanecarbonyl(methyl)amino]-1H-indole-3-carboxamide
CID 123513734
N-[6-[cyclohexanecarbonyl(methyl)amino]-1-(3-methoxypropylcarbamoyl)indol-2-yl]-1,3-thiazole-4-carboxamide
CID 154319499
N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 73054031
2-amino-6-[cyclohexanecarbonyl(methyl)amino]-N-propan-2-yl-1H-indole-3-carboxamide
CID 123744950

Frequently Asked Questions

What is the IUPAC name of N-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide (CID 73056034) is N-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide is CN(C(=O)C1CCCCC1)c1ccc2c(C(=O)NC3CCCCC3)c(NC(=O)c3cscn3)[nH]c2c1.
What is the InChIKey of N-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is KIAKVYVMOORQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3S/c1-32(27(35)17-8-4-2-5-9-17)19-12-13-20-21(14-19)30-24(31-25(33)22-15-36-16-28-22)23(20)26(34)29-18-10-6-3-7-11-18/h12-18,30H,2-11H2,1H3,(H,29,34)(H,31,33).
What are the key properties of N-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide?
N-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 507.66 g/mol, XLogP of 5.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[cyclohexanecarbonyl(methyl)amino]-3-(cyclohexylcarbamoyl)-1H-indol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 73056034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).