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

C14H13F4N3OS — CID 120620229

IUPAC2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cs1
InChIInChI=1S/C14H13F4N3OS/c15-9-2-1-8(10(5-9)14(16,17)18)6-20-13(22)11-7-23-12(21-11)3-4-19/h1-2,5,7H,3-4,6,19H2,(H,20,22)
InChIKeySXQRSTXTVAOMIU-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.73
Rot. Bonds5

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

2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 120620229) has the molecular formula C14H13F4N3OS and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID120620229
Molecular FormulaC14H13F4N3OS
Molecular Weight347.34 g/mol
Exact Mass347.07
IUPAC Name2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cs1
InChIInChI=1S/C14H13F4N3OS/c15-9-2-1-8(10(5-9)14(16,17)18)6-20-13(22)11-7-23-12(21-11)3-4-19/h1-2,5,7H,3-4,6,19H2,(H,20,22)
InChIKeySXQRSTXTVAOMIU-UHFFFAOYSA-N
XLogP2.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-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-(2-aminoethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120634282
2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622750
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)propyl]-1,3-thiazole-4-carboxamide
CID 120635511
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66389448
2-(2-aminoethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120619249
2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66372645
2-(1-aminoethyl)-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3705174
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[2-(2-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618131
2-(2-aminoethyl)-N-[(2-ethoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120637306
2-(2-aminoethyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 120626362
2-(2-aminoethyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619699

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 120620229) is 2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SXQRSTXTVAOMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3OS/c15-9-2-1-8(10(5-9)14(16,17)18)6-20-13(22)11-7-23-12(21-11)3-4-19/h1-2,5,7H,3-4,6,19H2,(H,20,22).
What are the key properties of 2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120620229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).