N-(1,3-benzothiazol-6-yl)-4-methylbenzamide

C15H12N2OS — CID 2337792

IUPACN-(1,3-benzothiazol-6-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1
InChIInChI=1S/C15H12N2OS/c1-10-2-4-11(5-3-10)15(18)17-12-6-7-13-14(8-12)19-9-16-13/h2-9H,1H3,(H,17,18)
InChIKeyKMDAHWDMWBNHRI-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.86
Rot. Bonds2

About N-(1,3-benzothiazol-6-yl)-4-methylbenzamide

N-(1,3-benzothiazol-6-yl)-4-methylbenzamide (PubChem CID 2337792) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-4-methylbenzamide
PubChem CID2337792
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC NameN-(1,3-benzothiazol-6-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1
InChIInChI=1S/C15H12N2OS/c1-10-2-4-11(5-3-10)15(18)17-12-6-7-13-14(8-12)19-9-16-13/h2-9H,1H3,(H,17,18)
InChIKeyKMDAHWDMWBNHRI-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide
CID 104938868
N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide
CID 103706835
4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide
CID 107802439
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092315
N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide
CID 107801394
methyl 3-(1,3-benzothiazole-6-carbonylamino)benzoate
CID 4797242
N-(1,3-benzothiazol-6-yl)-3-bromo-2-methylbenzamide
CID 103706834

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-4-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-4-methylbenzamide (CID 2337792) is N-(1,3-benzothiazol-6-yl)-4-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-4-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-4-methylbenzamide?
The InChIKey is KMDAHWDMWBNHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-10-2-4-11(5-3-10)15(18)17-12-6-7-13-14(8-12)19-9-16-13/h2-9H,1H3,(H,17,18).
What are the key properties of N-(1,3-benzothiazol-6-yl)-4-methylbenzamide?
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide has a molecular weight of 268.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-4-methylbenzamide is sourced from PubChem (CID 2337792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).