N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide

C15H15ClN2O2S2 — CID 134030860

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
SMILESCC(=O)c1csc(NC(=O)CCCSc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H15ClN2O2S2/c1-10(19)13-9-22-15(17-13)18-14(20)3-2-8-21-12-6-4-11(16)5-7-12/h4-7,9H,2-3,8H2,1H3,(H,17,18,20)
InChIKeyCZVLYSQEMFXZLV-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.51
Rot. Bonds7

About N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide

N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide (PubChem CID 134030860) has the molecular formula C15H15ClN2O2S2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
PubChem CID134030860
Molecular FormulaC15H15ClN2O2S2
Molecular Weight354.88 g/mol
Exact Mass354.03
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
SMILESCC(=O)c1csc(NC(=O)CCCSc2ccc(Cl)cc2)n1
InChIInChI=1S/C15H15ClN2O2S2/c1-10(19)13-9-22-15(17-13)18-14(20)3-2-8-21-12-6-4-11(16)5-7-12/h4-7,9H,2-3,8H2,1H3,(H,17,18,20)
InChIKeyCZVLYSQEMFXZLV-UHFFFAOYSA-N
XLogP4.51
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide 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-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2679359
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7545675
N-[4-[(4-acetyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 26469275
N-(4-acetyl-1,3-thiazol-2-yl)-4-aminobutanamide
CID 64556533
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272183
4-(4-chlorophenyl)sulfanyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 41272315
4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 2092099
3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 2444908
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324837
N-(4-acetylphenyl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272367
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 55434116
1-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]ethanone
CID 66142637

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide (CID 134030860) is N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide is CC(=O)c1csc(NC(=O)CCCSc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide?
The InChIKey is CZVLYSQEMFXZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S2/c1-10(19)13-9-22-15(17-13)18-14(20)3-2-8-21-12-6-4-11(16)5-7-12/h4-7,9H,2-3,8H2,1H3,(H,17,18,20).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide?
N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide has a molecular weight of 354.88 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide is sourced from PubChem (CID 134030860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).