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

C12H13N3OS — CID 54068309

IUPAC3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide
SMILESCNc1csc(NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C12H13N3OS/c1-8-4-3-5-9(6-8)11(16)15-12-14-10(13-2)7-17-12/h3-7,13H,1-2H3,(H,14,15,16)
InChIKeyPEKVDGWMDKBWBN-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.75
Rot. Bonds3

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

3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide (PubChem CID 54068309) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide
PubChem CID54068309
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide
SMILESCNc1csc(NC(=O)c2cccc(C)c2)n1
InChIInChI=1S/C12H13N3OS/c1-8-4-3-5-9(6-8)11(16)15-12-14-10(13-2)7-17-12/h3-7,13H,1-2H3,(H,14,15,16)
InChIKeyPEKVDGWMDKBWBN-UHFFFAOYSA-N
XLogP2.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 60728580
methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 35569810
3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572247
N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide
CID 78820705
3-methyl-N-[4-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46579335
3-methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3-methylbenzamide
CID 25487242
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
3-methyl-N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2082289
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide (CID 54068309) is 3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide is CNc1csc(NC(=O)c2cccc(C)c2)n1.
What is the InChIKey of 3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide?
The InChIKey is PEKVDGWMDKBWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-4-3-5-9(6-8)11(16)15-12-14-10(13-2)7-17-12/h3-7,13H,1-2H3,(H,14,15,16).
What are the key properties of 3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide?
3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide has a molecular weight of 247.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 54068309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).