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

C16H14N2OS — CID 5224044

IUPACN-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cccc2s/c(=N\C(=O)c3ccccc3)n(C)c12
InChIInChI=1S/C16H14N2OS/c1-11-7-6-10-13-14(11)18(2)16(20-13)17-15(19)12-8-4-3-5-9-12/h3-10H,1-2H3/b17-16-
InChIKeyJBSIAMCERWNGSX-MSUUIHNZSA-N
MW282.37 g/mol
LogP3.29
Rot. Bonds1

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

N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 5224044) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID5224044
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cccc2s/c(=N\C(=O)c3ccccc3)n(C)c12
InChIInChI=1S/C16H14N2OS/c1-11-7-6-10-13-14(11)18(2)16(20-13)17-15(19)12-8-4-3-5-9-12/h3-10H,1-2H3/b17-16-
InChIKeyJBSIAMCERWNGSX-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-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4051036
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 5225520
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
CID 4058561
4-[benzyl(methyl)sulfamoyl]-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2152749
(E)-N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 40613007
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121044066
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-5-methyl-1,2-oxazole-3-carboxamide
CID 16953844
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 40885648
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151023
N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
CID 43943680
2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5001748
4-benzyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4067124

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 5224044) is N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is Cc1cccc2s/c(=N\C(=O)c3ccccc3)n(C)c12.
What is the InChIKey of N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is JBSIAMCERWNGSX-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-7-6-10-13-14(11)18(2)16(20-13)17-15(19)12-8-4-3-5-9-12/h3-10H,1-2H3/b17-16-.
What are the key properties of N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide?
N-(3,4-dimethyl-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 N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 5224044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).