2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C12H9F4N3OS — CID 66381003

IUPAC2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cs1
InChIInChI=1S/C12H9F4N3OS/c13-7-2-1-6(12(14,15)16)3-8(7)19-11(20)9-5-21-10(4-17)18-9/h1-3,5H,4,17H2,(H,19,20)
InChIKeyWZCQDBDBGPJDNA-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.01
Rot. Bonds3

About 2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 66381003) has the molecular formula C12H9F4N3OS and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID66381003
Molecular FormulaC12H9F4N3OS
Molecular Weight319.28 g/mol
Exact Mass319.04
IUPAC Name2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cs1
InChIInChI=1S/C12H9F4N3OS/c13-7-2-1-6(12(14,15)16)3-8(7)19-11(20)9-5-21-10(4-17)18-9/h1-3,5H,4,17H2,(H,19,20)
InChIKeyWZCQDBDBGPJDNA-UHFFFAOYSA-N
XLogP3.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-[4-bromo-2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376863
2-(aminomethyl)-N-(2,3,5-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 66376335
2-(aminomethyl)-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66376283
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 110451051
2-(aminomethyl)-N-(2-fluoro-4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 66377693
2-(aminomethyl)-N-[5-chloro-2-(dimethylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 66377445
6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 63035993
2-(aminomethyl)-N-(2,3,4,5,6-pentafluorophenyl)-1,3-thiazole-4-carboxamide
CID 115564435
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66475257
N-(2,5-dichlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 3512008
2-(2-aminoethyl)-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 66373606
2-(aminomethyl)-N-(2-chloro-5-iodophenyl)-1,3-thiazole-4-carboxamide
CID 114259758

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 66381003) is 2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WZCQDBDBGPJDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3OS/c13-7-2-1-6(12(14,15)16)3-8(7)19-11(20)9-5-21-10(4-17)18-9/h1-3,5H,4,17H2,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 319.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66381003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).