2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide

C13H12F3N3OS — CID 62788576

IUPAC2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(N)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3OS/c1-7(18-11(20)10-6-21-12(17)19-10)8-3-2-4-9(5-8)13(14,15)16/h2-7H,1H3,(H2,17,19)(H,18,20)
InChIKeyUIIYBQAZOIFJGV-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.24
Rot. Bonds3

About 2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide

2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 62788576) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID62788576
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC Name2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(N)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3OS/c1-7(18-11(20)10-6-21-12(17)19-10)8-3-2-4-9(5-8)13(14,15)16/h2-7H,1H3,(H2,17,19)(H,18,20)
InChIKeyUIIYBQAZOIFJGV-UHFFFAOYSA-N
XLogP3.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62789080
2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55116256
5-iodo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thiophene-3-carboxamide
CID 79691672
5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 95871145
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81360148
2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide
CID 67508804
2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62787001
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
2-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81379895
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66475257
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 62787678
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide (CID 62788576) is 2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide is CC(NC(=O)c1csc(N)n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UIIYBQAZOIFJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c1-7(18-11(20)10-6-21-12(17)19-10)8-3-2-4-9(5-8)13(14,15)16/h2-7H,1H3,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 315.32 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62788576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).