2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide

C19H17ClN2OS2 — CID 23854688

IUPAC2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C19H17ClN2OS2/c20-16-8-6-14(7-9-16)10-17-11-21-19(25-17)22-18(23)13-24-12-15-4-2-1-3-5-15/h1-9,11H,10,12-13H2,(H,21,22,23)
InChIKeyHOZKKZFBXDFSSA-UHFFFAOYSA-N
MW388.95 g/mol
LogP5.26
Rot. Bonds7

About 2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 23854688) has the molecular formula C19H17ClN2OS2 and a molecular weight of 388.95 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID23854688
Molecular FormulaC19H17ClN2OS2
Molecular Weight388.95 g/mol
Exact Mass388.05
IUPAC Name2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSCc1ccccc1)Nc1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C19H17ClN2OS2/c20-16-8-6-14(7-9-16)10-17-11-21-19(25-17)22-18(23)13-24-12-15-4-2-1-3-5-15/h1-9,11H,10,12-13H2,(H,21,22,23)
InChIKeyHOZKKZFBXDFSSA-UHFFFAOYSA-N
XLogP5.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.95
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide 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-benzylsulfanyl-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23992686
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 3925208
2-[2-[(5-benzyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 31484325
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 24645705
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenylmethoxybenzamide
CID 3974923
N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16599674
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 18209053
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dioxo-5-propan-2-ylidene-1,3-thiazolidin-3-yl)acetamide
CID 18808957
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide
CID 23912685
(2S)-2-[2-[(5-benzyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-3-(4-bromophenyl)propanoic acid
CID 2147674
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 18270785

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 23854688) is 2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is O=C(CSCc1ccccc1)Nc1ncc(Cc2ccc(Cl)cc2)s1.
What is the InChIKey of 2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is HOZKKZFBXDFSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS2/c20-16-8-6-14(7-9-16)10-17-11-21-19(25-17)22-18(23)13-24-12-15-4-2-1-3-5-15/h1-9,11H,10,12-13H2,(H,21,22,23).
What are the key properties of 2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 388.95 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 23854688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).