2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide

C19H22ClN3O2S2 — CID 16899277

IUPAC2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide
SMILESO=C(CSc1nc(CC(=O)NC2CCCCC2)cs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2S2/c20-13-6-8-15(9-7-13)22-18(25)12-27-19-23-16(11-26-19)10-17(24)21-14-4-2-1-3-5-14/h6-9,11,14H,1-5,10,12H2,(H,21,24)(H,22,25)
InChIKeySLZXEGOEBSUGIO-UHFFFAOYSA-N
MW423.99 g/mol
LogP4.52
Rot. Bonds7

About 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide

2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide (PubChem CID 16899277) has the molecular formula C19H22ClN3O2S2 and a molecular weight of 423.99 g/mol. Its IUPAC name is 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide
PubChem CID16899277
Molecular FormulaC19H22ClN3O2S2
Molecular Weight423.99 g/mol
Exact Mass423.08
IUPAC Name2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide
SMILESO=C(CSc1nc(CC(=O)NC2CCCCC2)cs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2S2/c20-13-6-8-15(9-7-13)22-18(25)12-27-19-23-16(11-26-19)10-17(24)21-14-4-2-1-3-5-14/h6-9,11,14H,1-5,10,12H2,(H,21,24)(H,22,25)
InChIKeySLZXEGOEBSUGIO-UHFFFAOYSA-N
XLogP4.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide 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

2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-phenylacetamide
CID 16899303
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-chlorophenyl)acetamide
CID 16898739
N-cyclopropyl-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899078
N-(cyclohexylmethyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899514
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-cyclooctylacetamide
CID 39084543
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
N-(4-acetamidophenyl)-2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900041
N-(4-chlorophenyl)-2-[[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 16899261
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-bromophenyl)acetamide
CID 16898741
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 3911025
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 16898772
N-(4-methylphenyl)-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 16899394

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide (CID 16899277) is 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide is O=C(CSc1nc(CC(=O)NC2CCCCC2)cs1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide?
The InChIKey is SLZXEGOEBSUGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S2/c20-13-6-8-15(9-7-13)22-18(25)12-27-19-23-16(11-26-19)10-17(24)21-14-4-2-1-3-5-14/h6-9,11,14H,1-5,10,12H2,(H,21,24)(H,22,25).
What are the key properties of 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide?
2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide has a molecular weight of 423.99 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 16899277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).