3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide

C16H13ClN2OS — CID 4111955

IUPAC3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc(C)c2nc(NC(=O)c3cccc(Cl)c3)sc2c1
InChIInChI=1S/C16H13ClN2OS/c1-9-6-10(2)14-13(7-9)21-16(18-14)19-15(20)11-4-3-5-12(17)8-11/h3-8H,1-2H3,(H,18,19,20)
InChIKeyWYOZLWDEYIHUAH-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.82
Rot. Bonds2

About 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide

3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 4111955) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID4111955
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1cc(C)c2nc(NC(=O)c3cccc(Cl)c3)sc2c1
InChIInChI=1S/C16H13ClN2OS/c1-9-6-10(2)14-13(7-9)21-16(18-14)19-15(20)11-4-3-5-12(17)8-11/h3-8H,1-2H3,(H,18,19,20)
InChIKeyWYOZLWDEYIHUAH-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide (CID 4111955) is 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide is Cc1cc(C)c2nc(NC(=O)c3cccc(Cl)c3)sc2c1.
What is the InChIKey of 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is WYOZLWDEYIHUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-9-6-10(2)14-13(7-9)21-16(18-14)19-15(20)11-4-3-5-12(17)8-11/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 316.81 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 4111955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).