4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide

C15H12N2OS2 — CID 17448916

IUPAC4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide
SMILESNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H12N2OS2/c16-14(18)11-7-5-10(6-8-11)9-19-15-17-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H2,16,18)
InChIKeyCGFPIRISCSEOOZ-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.69
Rot. Bonds4

About 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide

4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide (PubChem CID 17448916) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide
PubChem CID17448916
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC Name4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide
SMILESNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H12N2OS2/c16-14(18)11-7-5-10(6-8-11)9-19-15-17-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H2,16,18)
InChIKeyCGFPIRISCSEOOZ-UHFFFAOYSA-N
XLogP3.69
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
4-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]benzohydrazide
CID 2435403
N-(1,3-Benzothiazol-2-YL)-4-tert-butylbenzamide
CID 722343
2-(1,3-Benzothiazol-2-yl)-1-phenylethan-1-one
CID 2435387
2-[1-(3-Methylbenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430023
2-[1-(3-Fluorobenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430047
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496
N-(1,3-Benzothiazol-2-YL)-2-fluorobenzamide
CID 717947
2-(Benzothiazol-2-ylsulfanyl)-1-phenyl-ethanone
CID 264060
2-Benzoylbenzothiazole
CID 318178

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide?
The IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide (CID 17448916) is 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide is NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide?
The InChIKey is CGFPIRISCSEOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS2/c16-14(18)11-7-5-10(6-8-11)9-19-15-17-12-3-1-2-4-13(12)20-15/h1-8H,9H2,(H2,16,18).
What are the key properties of 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide?
4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide has a molecular weight of 300.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 17448916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).