4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide

C16H14N2OS — CID 2330376

IUPAC4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1ccc(C(=O)/N=c2\sc3ccccc3n2C)cc1
InChIInChI=1S/C16H14N2OS/c1-11-7-9-12(10-8-11)15(19)17-16-18(2)13-5-3-4-6-14(13)20-16/h3-10H,1-2H3/b17-16-
InChIKeyGZVAASYAAGZEDR-MSUUIHNZSA-N
MW282.37 g/mol
LogP3.29
Rot. Bonds1

About 4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide

4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 2330376) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID2330376
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1ccc(C(=O)/N=c2\sc3ccccc3n2C)cc1
InChIInChI=1S/C16H14N2OS/c1-11-7-9-12(10-8-11)15(19)17-16-18(2)13-5-3-4-6-14(13)20-16/h3-10H,1-2H3/b17-16-
InChIKeyGZVAASYAAGZEDR-MSUUIHNZSA-N
XLogP3.29
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
CID 4984113
N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide
CID 8696411
N-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
CID 142713314
6-[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]hexanoic acid
CID 142713325
[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]methyl acetate
CID 142713499
ethyl 4-[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]butanoate
CID 142713472
N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4291910
ethyl 2-fluoro-2-[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 142713397
4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 142713341
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5224044
4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3589804
4-(methylamino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
CID 7892459

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 2330376) is 4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide is Cc1ccc(C(=O)/N=c2\sc3ccccc3n2C)cc1.
What is the InChIKey of 4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is GZVAASYAAGZEDR-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-7-9-12(10-8-11)15(19)17-16-18(2)13-5-3-4-6-14(13)20-16/h3-10H,1-2H3/b17-16-.
What are the key properties of 4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 282.37 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 2330376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).