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

C13H15N3OS — CID 55046054

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1
InChIInChI=1S/C13H15N3OS/c1-8-9(2)18-13(15-8)16-12(17)10-4-6-11(14-3)7-5-10/h4-7,14H,1-3H3,(H,15,16,17)
InChIKeyULFAWMWYSLHMKU-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.05
Rot. Bonds3

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide (PubChem CID 55046054) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
PubChem CID55046054
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1
InChIInChI=1S/C13H15N3OS/c1-8-9(2)18-13(15-8)16-12(17)10-4-6-11(14-3)7-5-10/h4-7,14H,1-3H3,(H,15,16,17)
InChIKeyULFAWMWYSLHMKU-UHFFFAOYSA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropanecarbonylamino)-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 18128666
4-methyl-2-[[4-(methylamino)benzoyl]amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 144822340
4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
6-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62061155
4-[(2,5-dimethylphenyl)sulfonylamino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 18292040
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107024984
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18128698
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide
CID 17191166
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 110756954
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617289
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86777420

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide (CID 55046054) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide is CNc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide?
The InChIKey is ULFAWMWYSLHMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-8-9(2)18-13(15-8)16-12(17)10-4-6-11(14-3)7-5-10/h4-7,14H,1-3H3,(H,15,16,17).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide has a molecular weight of 261.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide is sourced from PubChem (CID 55046054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).