3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C13H14N2OS — CID 1246749

IUPAC3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C13H14N2OS/c1-8-4-9(2)6-11(5-8)12(16)15-13-14-10(3)7-17-13/h4-7H,1-3H3,(H,14,15,16)
InChIKeyGOMYKYUJJYTGGW-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.32
Rot. Bonds2

About 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 1246749) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID1246749
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cc(C)cc(C(=O)Nc2nc(C)cs2)c1
InChIInChI=1S/C13H14N2OS/c1-8-4-9(2)6-11(5-8)12(16)15-13-14-10(3)7-17-13/h4-7H,1-3H3,(H,14,15,16)
InChIKeyGOMYKYUJJYTGGW-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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Related Compounds

4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 25237547
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 104627766
5,6-dichloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 7959065
N-(4-methyl-1,3-thiazol-2-yl)-5-propylthiophene-3-carboxamide
CID 25237549
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 110763463
3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572247

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 1246749) is 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1cc(C)cc(C(=O)Nc2nc(C)cs2)c1.
What is the InChIKey of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is GOMYKYUJJYTGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-8-4-9(2)6-11(5-8)12(16)15-13-14-10(3)7-17-13/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3,5-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 3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 1246749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).