N-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide

C18H24N2OS — CID 158687598

IUPACN-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCc1nc(C2=CCC(C(=O)N(C)C3CCC(C)CC3)=C2)cs1
InChIInChI=1S/C18H24N2OS/c1-12-4-8-16(9-5-12)20(3)18(21)15-7-6-14(10-15)17-11-22-13(2)19-17/h6,10-12,16H,4-5,7-9H2,1-3H3
InChIKeyIFXYPSSQPUAUGK-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.20
Rot. Bonds3

About N-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide

N-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide (PubChem CID 158687598) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
PubChem CID158687598
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCc1nc(C2=CCC(C(=O)N(C)C3CCC(C)CC3)=C2)cs1
InChIInChI=1S/C18H24N2OS/c1-12-4-8-16(9-5-12)20(3)18(21)15-7-6-14(10-15)17-11-22-13(2)19-17/h6,10-12,16H,4-5,7-9H2,1-3H3
InChIKeyIFXYPSSQPUAUGK-UHFFFAOYSA-N
XLogP4.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-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

1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 95760979
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone
CID 160561023
6-cyclopropyl-N,3-dimethyl-N-(4-methylcyclohexyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32918771
4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 62178128
N-methyl-N-(4-methylcyclohexyl)-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 37286262
N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 32917838
2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 5121126
N-cyclopropyl-N,3-dimethyl-1,2-thiazole-4-carboxamide
CID 130684550
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 55583411
4-amino-1-ethyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 61118691
2-acetamido-N-cyclopropyl-N-(4-methylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 51097058
5-(3-aminoprop-1-ynyl)-N-methyl-N-(4-methylcyclohexyl)thiophene-3-carboxamide
CID 79683547

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide (CID 158687598) is N-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide is Cc1nc(C2=CCC(C(=O)N(C)C3CCC(C)CC3)=C2)cs1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is IFXYPSSQPUAUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-12-4-8-16(9-5-12)20(3)18(21)15-7-6-14(10-15)17-11-22-13(2)19-17/h6,10-12,16H,4-5,7-9H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
N-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 158687598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).