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

C12H13N3OS — CID 62173171

IUPAC4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCNc1ccc(C(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C12H13N3OS/c1-8-7-17-12(14-8)15-11(16)9-3-5-10(13-2)6-4-9/h3-7,13H,1-2H3,(H,14,15,16)
InChIKeyOHTVJEKWAVWTJP-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.75
Rot. Bonds3

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

4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 62173171) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID62173171
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCNc1ccc(C(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C12H13N3OS/c1-8-7-17-12(14-8)15-11(16)9-3-5-10(13-2)6-4-9/h3-7,13H,1-2H3,(H,14,15,16)
InChIKeyOHTVJEKWAVWTJP-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

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-(butanoylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7326262
4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361667
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
CID 55046054
4-[(2-methylpropan-2-yl)oxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110761812
N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide
CID 56857360
3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 104627766
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 62173171) is 4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is CNc1ccc(C(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is OHTVJEKWAVWTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-7-17-12(14-8)15-11(16)9-3-5-10(13-2)6-4-9/h3-7,13H,1-2H3,(H,14,15,16).
What are the key properties of 4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
4-(methylamino)-N-(4-methyl-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 4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 62173171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).