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

C13H14N2OS — CID 9103925

IUPAC3,4-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCc1ccc(C(=O)/N=c2/sccn2C)cc1C
InChIInChI=1S/C13H14N2OS/c1-9-4-5-11(8-10(9)2)12(16)14-13-15(3)6-7-17-13/h4-8H,1-3H3/b14-13+
InChIKeyJGWXWJYCBSZHRO-BUHFOSPRSA-N
MW246.33 g/mol
LogP2.44
Rot. Bonds1

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

3,4-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 9103925) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 3,4-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID9103925
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name3,4-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCc1ccc(C(=O)/N=c2/sccn2C)cc1C
InChIInChI=1S/C13H14N2OS/c1-9-4-5-11(8-10(9)2)12(16)14-13-15(3)6-7-17-13/h4-8H,1-3H3/b14-13+
InChIKeyJGWXWJYCBSZHRO-BUHFOSPRSA-N
XLogP2.44
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 3,4-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 9103925) is 3,4-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is Cc1ccc(C(=O)/N=c2/sccn2C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is JGWXWJYCBSZHRO-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-4-5-11(8-10(9)2)12(16)14-13-15(3)6-7-17-13/h4-8H,1-3H3/b14-13+.
What are the key properties of 3,4-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
3,4-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 246.33 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 9103925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).