2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide

C17H21ClN2OS2 — CID 16900525

IUPAC2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cc1csc(SCc2cccc(Cl)c2)n1
InChIInChI=1S/C17H21ClN2OS2/c1-12(2)6-7-19-16(21)9-15-11-23-17(20-15)22-10-13-4-3-5-14(18)8-13/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,19,21)
InChIKeyMCGMNYZUCWZGDK-UHFFFAOYSA-N
MW368.96 g/mol
LogP4.79
Rot. Bonds8

About 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide

2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide (PubChem CID 16900525) has the molecular formula C17H21ClN2OS2 and a molecular weight of 368.96 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide
PubChem CID16900525
Molecular FormulaC17H21ClN2OS2
Molecular Weight368.96 g/mol
Exact Mass368.08
IUPAC Name2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)Cc1csc(SCc2cccc(Cl)c2)n1
InChIInChI=1S/C17H21ClN2OS2/c1-12(2)6-7-19-16(21)9-15-11-23-17(20-15)22-10-13-4-3-5-14(18)8-13/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,19,21)
InChIKeyMCGMNYZUCWZGDK-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.96
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)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-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16900519
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16900526
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 16900521
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide
CID 16900186
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-phenylpropyl)acetamide
CID 16900551
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 16900584
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-ethylphenyl)acetamide
CID 16900558
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-propylacetamide
CID 16899931
2-[2-[(2,4-dichlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methylpropyl)acetamide
CID 16900183
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxy-4-methylphenyl)acetamide
CID 16900611
N-(3-chloro-4-methoxyphenyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
CID 16900616
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16899938

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide (CID 16900525) is 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)Cc1csc(SCc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide?
The InChIKey is MCGMNYZUCWZGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2OS2/c1-12(2)6-7-19-16(21)9-15-11-23-17(20-15)22-10-13-4-3-5-14(18)8-13/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide?
2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide has a molecular weight of 368.96 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 16900525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).