4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C14H15ClN2OS2 — CID 2092099

IUPAC4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCSc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H15ClN2OS2/c1-10-9-16-14(20-10)17-13(18)3-2-8-19-12-6-4-11(15)5-7-12/h4-7,9H,2-3,8H2,1H3,(H,16,17,18)
InChIKeyWACMUIVRCFBKMY-UHFFFAOYSA-N
MW326.87 g/mol
LogP4.62
Rot. Bonds6

About 4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide

4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 2092099) has the molecular formula C14H15ClN2OS2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID2092099
Molecular FormulaC14H15ClN2OS2
Molecular Weight326.87 g/mol
Exact Mass326.03
IUPAC Name4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCSc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H15ClN2OS2/c1-10-9-16-14(20-10)17-13(18)3-2-8-19-12-6-4-11(15)5-7-12/h4-7,9H,2-3,8H2,1H3,(H,16,17,18)
InChIKeyWACMUIVRCFBKMY-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide 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-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47366040
4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47242346
4-(4-chlorophenyl)sulfanyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 100552715
3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 2985108
N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 134030860
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 16795655
4-[(6-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155553594
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2679359
4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 3343017
4-(2-methoxyethoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 60567543
N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272183

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 2092099) is 4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCSc2ccc(Cl)cc2)s1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is WACMUIVRCFBKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS2/c1-10-9-16-14(20-10)17-13(18)3-2-8-19-12-6-4-11(15)5-7-12/h4-7,9H,2-3,8H2,1H3,(H,16,17,18).
What are the key properties of 4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 326.87 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2092099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).