N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide

C15H11ClN2OS2 — CID 107020051

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C15H11ClN2OS2/c16-10-3-6-12-13(8-10)21-15(17-12)18-14(19)7-9-1-4-11(20)5-2-9/h1-6,8,20H,7H2,(H,17,18,19)
InChIKeyMJVCPLREVFCNJE-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.42
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide (PubChem CID 107020051) has the molecular formula C15H11ClN2OS2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide
PubChem CID107020051
Molecular FormulaC15H11ClN2OS2
Molecular Weight334.85 g/mol
Exact Mass334.00
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C15H11ClN2OS2/c16-10-3-6-12-13(8-10)21-15(17-12)18-14(19)7-9-1-4-11(20)5-2-9/h1-6,8,20H,7H2,(H,17,18,19)
InChIKeyMJVCPLREVFCNJE-UHFFFAOYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)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

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
CID 107020050
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455630
6-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-oxohexanoic acid
CID 43529458
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phosphonatoacetamide
CID 2075016
N-(6-amino-1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)acetamide
CID 62503891
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 9118132
N-(6-chloro-1,3-benzothiazol-2-yl)-4-oxo-4-phenylbutanamide
CID 71454867
2-tert-butylsulfanyl-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 112794492
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 108761849

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide (CID 107020051) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide is O=C(Cc1ccc(S)cc1)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide?
The InChIKey is MJVCPLREVFCNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS2/c16-10-3-6-12-13(8-10)21-15(17-12)18-14(19)7-9-1-4-11(20)5-2-9/h1-6,8,20H,7H2,(H,17,18,19).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide has a molecular weight of 334.85 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide is sourced from PubChem (CID 107020051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).