4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide

C17H14N6OS — CID 142713341

IUPAC4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide
SMILESCc1ccc(C(=O)/N=c2\sc3ccccc3n2Cc2nn[nH]n2)cc1
InChIInChI=1S/C17H14N6OS/c1-11-6-8-12(9-7-11)16(24)18-17-23(10-15-19-21-22-20-15)13-4-2-3-5-14(13)25-17/h2-9H,10H2,1H3,(H,19,20,21,22)/b18-17-
InChIKeyMOWUWLPJSMMJGZ-ZCXUNETKSA-N
MW350.41 g/mol
LogP2.31
Rot. Bonds3

About 4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide

4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide (PubChem CID 142713341) has the molecular formula C17H14N6OS and a molecular weight of 350.41 g/mol. Its IUPAC name is 4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide
PubChem CID142713341
Molecular FormulaC17H14N6OS
Molecular Weight350.41 g/mol
Exact Mass350.09
IUPAC Name4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide
SMILESCc1ccc(C(=O)/N=c2\sc3ccccc3n2Cc2nn[nH]n2)cc1
InChIInChI=1S/C17H14N6OS/c1-11-6-8-12(9-7-11)16(24)18-17-23(10-15-19-21-22-20-15)13-4-2-3-5-14(13)25-17/h2-9H,10H2,1H3,(H,19,20,21,22)/b18-17-
InChIKeyMOWUWLPJSMMJGZ-ZCXUNETKSA-N
XLogP2.31
TPSA88.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]methyl acetate
CID 142713499
4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2330376
6-[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]hexanoic acid
CID 142713325
ethyl 4-[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]butanoate
CID 142713472
methyl 4-[(3-ethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 4638674
N-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
CID 142713314
N-(3-ethyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 4064574
ethyl 2-fluoro-2-[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 142713397
N-[3-(3,3-dimethyl-2-oxobutyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 4525917
N-[3-(1-aminooxybutan-2-yl)-1,3-benzothiazol-2-ylidene]-4-methylbenzamide
CID 142713495
4-methoxy-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 3681659
N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide
CID 30680337

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide?
The IUPAC name of 4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide (CID 142713341) is 4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide.
What is the SMILES notation for 4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide?
The canonical SMILES for 4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide is Cc1ccc(C(=O)/N=c2\sc3ccccc3n2Cc2nn[nH]n2)cc1.
What is the InChIKey of 4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide?
The InChIKey is MOWUWLPJSMMJGZ-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H14N6OS/c1-11-6-8-12(9-7-11)16(24)18-17-23(10-15-19-21-22-20-15)13-4-2-3-5-14(13)25-17/h2-9H,10H2,1H3,(H,19,20,21,22)/b18-17-.
What are the key properties of 4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide?
4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide has a molecular weight of 350.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide is sourced from PubChem (CID 142713341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).