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

C12H14N2OS — CID 3771432

IUPAC3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)NC2=NCC(C)S2)c1
InChIInChI=1S/C12H14N2OS/c1-8-4-3-5-10(6-8)11(15)14-12-13-7-9(2)16-12/h3-6,9H,7H2,1-2H3,(H,13,14,15)
InChIKeyGVKJNVLGYLXAPX-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.22
Rot. Bonds1

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

3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 3771432) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID3771432
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)NC2=NCC(C)S2)c1
InChIInChI=1S/C12H14N2OS/c1-8-4-3-5-10(6-8)11(15)14-12-13-7-9(2)16-12/h3-6,9H,7H2,1-2H3,(H,13,14,15)
InChIKeyGVKJNVLGYLXAPX-UHFFFAOYSA-N
XLogP2.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
CID 1011123
1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1-(3-methylphenyl)-3-phenylurea
CID 6923880
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
N-cyclooctyl-3-methylbenzamide
CID 966011
3-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 848103
1-[4-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 7084301
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 71980948
N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide
CID 113010050
N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
CID 51145870

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 3771432) is 3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide is Cc1cccc(C(=O)NC2=NCC(C)S2)c1.
What is the InChIKey of 3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is GVKJNVLGYLXAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-4-3-5-10(6-8)11(15)14-12-13-7-9(2)16-12/h3-6,9H,7H2,1-2H3,(H,13,14,15).
What are the key properties of 3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide?
3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide has a molecular weight of 234.32 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3771432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).