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

C12H12N2OS — CID 900891

IUPACN-(3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide
SMILESCc1cs/c(=N/C(=O)c2ccccc2)n1C
InChIInChI=1S/C12H12N2OS/c1-9-8-16-12(14(9)2)13-11(15)10-6-4-3-5-7-10/h3-8H,1-2H3/b13-12+
InChIKeyRWCDQEQIQPRLCX-OUKQBFOZSA-N
MW232.31 g/mol
LogP2.14
Rot. Bonds1

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

N-(3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 900891) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID900891
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide
SMILESCc1cs/c(=N/C(=O)c2ccccc2)n1C
InChIInChI=1S/C12H12N2OS/c1-9-8-16-12(14(9)2)13-11(15)10-6-4-3-5-7-10/h3-8H,1-2H3/b13-12+
InChIKeyRWCDQEQIQPRLCX-OUKQBFOZSA-N
XLogP2.14
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-Dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
CID 776902
N-(4,5-Dihydro-thiazol-2-yl)-benzamide
CID 802148
N-(4,5-Dihydro-2-thiazolyl)-3-methylbenzamide
CID 799139
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 821560
Ethyl 2-benzoylimino-3,4-dimethyl-1,3-thiazole-5-carboxylate
CID 4456140
3,4-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 9103925
1-(2-Fluorobenzoyl)-2-methylthio-2-imidazoline
CID 3236905
N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 12514894
N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methylthiazol-2(3H)-ylidene)benzamide
CID 44443136
N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methylthiazol-2(3H)-ylidene)-3-methylbenzamide
CID 44443141
N-(5-tert-butyl-3,4-dimethylthiazol-2(3H)-ylidene)-3-(trifluoromethyl)benzamide
CID 44443147
N-(5-tert-butyl-3-ethyl-4-methylthiazol-2(3H)-ylidene)-3-(trifluoromethyl)benzamide
CID 44443148

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of N-(3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide (CID 900891) is N-(3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for N-(3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for N-(3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide is Cc1cs/c(=N/C(=O)c2ccccc2)n1C.
What is the InChIKey of N-(3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is RWCDQEQIQPRLCX-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9-8-16-12(14(9)2)13-11(15)10-6-4-3-5-7-10/h3-8H,1-2H3/b13-12+.
What are the key properties of N-(3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide?
N-(3,4-dimethyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 232.31 g/mol, XLogP of 2.14, 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-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 900891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).