N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide

C13H18N2O2S2 — CID 2404456

IUPACN-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide
SMILESCc1csc(SCC(=O)NC(=O)C2CCCCC2)n1
InChIInChI=1S/C13H18N2O2S2/c1-9-7-18-13(14-9)19-8-11(16)15-12(17)10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyHXXDMZNDZTWVMT-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.77
Rot. Bonds4

About N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide

N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide (PubChem CID 2404456) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide
PubChem CID2404456
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC NameN-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide
SMILESCc1csc(SCC(=O)NC(=O)C2CCCCC2)n1
InChIInChI=1S/C13H18N2O2S2/c1-9-7-18-13(14-9)19-8-11(16)15-12(17)10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyHXXDMZNDZTWVMT-UHFFFAOYSA-N
XLogP2.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide 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-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4876727
N-(4-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 7499814
N-(2-methylcyclohexyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 24981071
2-cyclohexyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 22583816
N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexanecarboxamide
CID 40117206
4,4-difluoro-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]cyclohexane-1-carboxamide
CID 177868762
2-methyl-N-[2-(4-methyl(1,3-thiazol-2-ylthio))acetyl]propanamide
CID 9534801
N-(4-methylcyclohexyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 45857028
4-(4-Methyl-1,3-thiazol-2-yl)cyclohexane-1-carbohydrazide
CID 58509475
3-Methyl-2-(4-methyl-1,3-thiazol-2-yl)octanamide
CID 67598955
4-(4-Methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 90464362
6-(4-Methyl-1,3-thiazol-2-yl)hexanamide
CID 91328470

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide (CID 2404456) is N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide is Cc1csc(SCC(=O)NC(=O)C2CCCCC2)n1.
What is the InChIKey of N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide?
The InChIKey is HXXDMZNDZTWVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c1-9-7-18-13(14-9)19-8-11(16)15-12(17)10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,15,16,17).
What are the key properties of N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide?
N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide has a molecular weight of 298.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]cyclohexanecarboxamide is sourced from PubChem (CID 2404456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).