N-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide

C15H11BrN2OS2 — CID 2373829

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C15H11BrN2OS2/c16-10-6-7-12-13(8-10)21-15(17-12)18-14(19)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18,19)
InChIKeyKWYXQBVVFDINQG-UHFFFAOYSA-N
MW379.30 g/mol
LogP4.79
Rot. Bonds4

About N-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide

N-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide (PubChem CID 2373829) has the molecular formula C15H11BrN2OS2 and a molecular weight of 379.30 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
PubChem CID2373829
Molecular FormulaC15H11BrN2OS2
Molecular Weight379.30 g/mol
Exact Mass377.95
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C15H11BrN2OS2/c16-10-6-7-12-13(8-10)21-15(17-12)18-14(19)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18,19)
InChIKeyKWYXQBVVFDINQG-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide (CID 2373829) is N-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1nc2ccc(Br)cc2s1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide?
The InChIKey is KWYXQBVVFDINQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2OS2/c16-10-6-7-12-13(8-10)21-15(17-12)18-14(19)9-20-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18,19).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide has a molecular weight of 379.30 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2373829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).