N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide

C13H15N3OS — CID 82342443

IUPACN-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(C)c(N)s2)cc1C
InChIInChI=1S/C13H15N3OS/c1-7-4-5-10(6-8(7)2)12(17)16-13-15-9(3)11(14)18-13/h4-6H,14H2,1-3H3,(H,15,16,17)
InChIKeyGNKQQMUCSGXUMD-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.90
Rot. Bonds2

About N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide

N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide (PubChem CID 82342443) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
PubChem CID82342443
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(C)c(N)s2)cc1C
InChIInChI=1S/C13H15N3OS/c1-7-4-5-10(6-8(7)2)12(17)16-13-15-9(3)11(14)18-13/h4-6H,14H2,1-3H3,(H,15,16,17)
InChIKeyGNKQQMUCSGXUMD-UHFFFAOYSA-N
XLogP2.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-4-methyl-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 82342440
N-(5-amino-4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 82342465
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
3-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100933
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3,4-dimethylbenzamide
CID 90543562
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 952086
3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16813790
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 64555861
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 5048055
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 62185340

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide (CID 82342443) is N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2nc(C)c(N)s2)cc1C.
What is the InChIKey of N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide?
The InChIKey is GNKQQMUCSGXUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-7-4-5-10(6-8(7)2)12(17)16-13-15-9(3)11(14)18-13/h4-6H,14H2,1-3H3,(H,15,16,17).
What are the key properties of N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide?
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide has a molecular weight of 261.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 82342443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).