N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide

C12H18N2OS2 — CID 100627468

IUPACN-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCS[C@H]1CC[C@H](NC(=O)c2csc(C)n2)C1
InChIInChI=1S/C12H18N2OS2/c1-3-16-10-5-4-9(6-10)14-12(15)11-7-17-8(2)13-11/h7,9-10H,3-6H2,1-2H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyPDAPTJQNXBRQMX-UWVGGRQHSA-N
MW270.42 g/mol
LogP2.86
Rot. Bonds4

About N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 100627468) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID100627468
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC NameN-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCS[C@H]1CC[C@H](NC(=O)c2csc(C)n2)C1
InChIInChI=1S/C12H18N2OS2/c1-3-16-10-5-4-9(6-10)14-12(15)11-7-17-8(2)13-11/h7,9-10H,3-6H2,1-2H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyPDAPTJQNXBRQMX-UWVGGRQHSA-N
XLogP2.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-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

3-[(1R,3R)-3-ethylsulfanylcyclohexyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 97058866
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110465347
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
4-amino-N-(3-ethylsulfanylcyclopentyl)-1H-pyrrole-2-carboxamide
CID 114122255
5-[(3-ethylsulfanylcyclopentyl)carbamoyl]pyridine-2-carboxylic acid
CID 103714417
2-chloro-N-(3-ethylsulfanylcyclopentyl)furan-3-carboxamide
CID 106812168
6-chloro-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 103709555
5-chloro-N-(3-ethylsulfanylcyclopentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 103709475
4-amino-N-(3-ethylsulfanylcyclopentyl)pyridine-3-carboxamide
CID 105056170
ethyl 4-[(3,4-dimethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698092
2-(ethylamino)-N-(3-ethylsulfanylcyclopentyl)pyridine-4-carboxamide
CID 103738205
2-amino-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103797921

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 100627468) is N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide is CCS[C@H]1CC[C@H](NC(=O)c2csc(C)n2)C1.
What is the InChIKey of N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is PDAPTJQNXBRQMX-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-3-16-10-5-4-9(6-10)14-12(15)11-7-17-8(2)13-11/h7,9-10H,3-6H2,1-2H3,(H,14,15)/t9-,10-/m0/s1.
What are the key properties of N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 100627468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).