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

C13H12F3N3OS — CID 62185340

IUPAC4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESCc1nc(NC(=O)c2ccc(N)c(C(F)(F)F)c2)sc1C
InChIInChI=1S/C13H12F3N3OS/c1-6-7(2)21-12(18-6)19-11(20)8-3-4-10(17)9(5-8)13(14,15)16/h3-5H,17H2,1-2H3,(H,18,19,20)
InChIKeyBJVLFQUNNAVZOT-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.61
Rot. Bonds2

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

4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 62185340) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID62185340
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC Name4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESCc1nc(NC(=O)c2ccc(N)c(C(F)(F)F)c2)sc1C
InChIInChI=1S/C13H12F3N3OS/c1-6-7(2)21-12(18-6)19-11(20)8-3-4-10(17)9(5-8)13(14,15)16/h3-5H,17H2,1-2H3,(H,18,19,20)
InChIKeyBJVLFQUNNAVZOT-UHFFFAOYSA-N
XLogP3.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107024984
6-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62061155
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
CID 55046054
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide
CID 17191166
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86777420
4-amino-N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 62154697
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 82344433
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 82342443
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3,3-trimethyl-2-oxoindole-5-carboxamide
CID 110764430
6-amino-5-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62185172
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61471873

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide (CID 62185340) is 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide is Cc1nc(NC(=O)c2ccc(N)c(C(F)(F)F)c2)sc1C.
What is the InChIKey of 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is BJVLFQUNNAVZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c1-6-7(2)21-12(18-6)19-11(20)8-3-4-10(17)9(5-8)13(14,15)16/h3-5H,17H2,1-2H3,(H,18,19,20).
What are the key properties of 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide?
4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 315.32 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62185340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).