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

C13H14N2OS — CID 2464226

IUPAC2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(C)c2C)n1
InChIInChI=1S/C13H14N2OS/c1-8-5-4-6-11(10(8)3)12(16)15-13-14-9(2)7-17-13/h4-7H,1-3H3,(H,14,15,16)
InChIKeyVNRQQOWKTNBCAE-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.32
Rot. Bonds2

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

2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2464226) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2464226
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cccc(C)c2C)n1
InChIInChI=1S/C13H14N2OS/c1-8-5-4-6-11(10(8)3)12(16)15-13-14-9(2)7-17-13/h4-7H,1-3H3,(H,14,15,16)
InChIKeyVNRQQOWKTNBCAE-UHFFFAOYSA-N
XLogP3.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 2464226) is 2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cccc(C)c2C)n1.
What is the InChIKey of 2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is VNRQQOWKTNBCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-5-4-6-11(10(8)3)12(16)15-13-14-9(2)7-17-13/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 246.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2464226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).