N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide

C15H10Cl2N2OS2 — CID 8702247

IUPACN-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)c2ncsc12
InChIInChI=1S/C15H10Cl2N2OS2/c16-9-1-3-10(4-2-9)21-7-13(20)19-12-6-5-11(17)14-15(12)22-8-18-14/h1-6,8H,7H2,(H,19,20)
InChIKeyBGZCOUFCPFLJJH-UHFFFAOYSA-N
MW369.30 g/mol
LogP5.33
Rot. Bonds4

About N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide

N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide (PubChem CID 8702247) has the molecular formula C15H10Cl2N2OS2 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide
PubChem CID8702247
Molecular FormulaC15H10Cl2N2OS2
Molecular Weight369.30 g/mol
Exact Mass367.96
IUPAC NameN-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)c2ncsc12
InChIInChI=1S/C15H10Cl2N2OS2/c16-9-1-3-10(4-2-9)21-7-13(20)19-12-6-5-11(17)14-15(12)22-8-18-14/h1-6,8H,7H2,(H,19,20)
InChIKeyBGZCOUFCPFLJJH-UHFFFAOYSA-N
XLogP5.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.30
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide (CID 8702247) is N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide is O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)c2ncsc12.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide?
The InChIKey is BGZCOUFCPFLJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS2/c16-9-1-3-10(4-2-9)21-7-13(20)19-12-6-5-11(17)14-15(12)22-8-18-14/h1-6,8H,7H2,(H,19,20).
What are the key properties of N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide?
N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide has a molecular weight of 369.30 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-7-yl)-2-(4-chlorophenyl)sulfanylacetamide is sourced from PubChem (CID 8702247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).