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

C12H12N2OS — CID 70899033

IUPACN-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCNC(=O)c1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C12H12N2OS/c1-8-14-11(7-16-8)9-4-3-5-10(6-9)12(15)13-2/h3-7H,1-2H3,(H,13,15)
InChIKeyIPYMTJMGMIKOJY-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.48
Rot. Bonds2

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

N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 70899033) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID70899033
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCNC(=O)c1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C12H12N2OS/c1-8-14-11(7-16-8)9-4-3-5-10(6-9)12(15)13-2/h3-7H,1-2H3,(H,13,15)
InChIKeyIPYMTJMGMIKOJY-UHFFFAOYSA-N
XLogP2.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 119498471
3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 169412103
3-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859281
N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120652084
2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid
CID 75472233
N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 111471390
N-[(2R)-1-methoxypropan-2-yl]sulfonyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 99812786
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
ethane;2-methyl-4-(3-methylphenyl)-1,3-thiazole
CID 142374611
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 111482579

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 70899033) is N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide is CNC(=O)c1cccc(-c2csc(C)n2)c1.
What is the InChIKey of N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is IPYMTJMGMIKOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-14-11(7-16-8)9-4-3-5-10(6-9)12(15)13-2/h3-7H,1-2H3,(H,13,15).
What are the key properties of N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 232.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 70899033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).