(5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone

C15H10ClNOS — CID 22887462

IUPAC(5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nc3cc(Cl)ccc3s2)cc1
InChIInChI=1S/C15H10ClNOS/c1-9-2-4-10(5-3-9)14(18)15-17-12-8-11(16)6-7-13(12)19-15/h2-8H,1H3
InChIKeyPBBJSFOLKXGBIN-UHFFFAOYSA-N
MW287.77 g/mol
LogP4.49
Rot. Bonds2

About (5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone

(5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone (PubChem CID 22887462) has the molecular formula C15H10ClNOS and a molecular weight of 287.77 g/mol. Its IUPAC name is (5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone
PubChem CID22887462
Molecular FormulaC15H10ClNOS
Molecular Weight287.77 g/mol
Exact Mass287.02
IUPAC Name(5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nc3cc(Cl)ccc3s2)cc1
InChIInChI=1S/C15H10ClNOS/c1-9-2-4-10(5-3-9)14(18)15-17-12-8-11(16)6-7-13(12)19-15/h2-8H,1H3
InChIKeyPBBJSFOLKXGBIN-UHFFFAOYSA-N
XLogP4.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone?
The IUPAC name of (5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone (CID 22887462) is (5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2nc3cc(Cl)ccc3s2)cc1.
What is the InChIKey of (5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone?
The InChIKey is PBBJSFOLKXGBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNOS/c1-9-2-4-10(5-3-9)14(18)15-17-12-8-11(16)6-7-13(12)19-15/h2-8H,1H3.
What are the key properties of (5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone?
(5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone has a molecular weight of 287.77 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-benzothiazol-2-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 22887462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).