N-(1,3-benzothiazol-2-yl)-N-methylbenzamide

C15H12N2OS — CID 646668

IUPACN-(1,3-benzothiazol-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C15H12N2OS/c1-17(14(18)11-7-3-2-4-8-11)15-16-12-9-5-6-10-13(12)19-15/h2-10H,1H3
InChIKeyHZIHROTYRLKEHQ-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.57
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-N-methylbenzamide

N-(1,3-benzothiazol-2-yl)-N-methylbenzamide (PubChem CID 646668) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-methylbenzamide
PubChem CID646668
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C15H12N2OS/c1-17(14(18)11-7-3-2-4-8-11)15-16-12-9-5-6-10-13(12)19-15/h2-10H,1H3
InChIKeyHZIHROTYRLKEHQ-UHFFFAOYSA-N
XLogP3.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-methylbenzamide (CID 646668) is N-(1,3-benzothiazol-2-yl)-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-methylbenzamide is CN(C(=O)c1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-methylbenzamide?
The InChIKey is HZIHROTYRLKEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-17(14(18)11-7-3-2-4-8-11)15-16-12-9-5-6-10-13(12)19-15/h2-10H,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-methylbenzamide?
N-(1,3-benzothiazol-2-yl)-N-methylbenzamide has a molecular weight of 268.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-methylbenzamide is sourced from PubChem (CID 646668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).