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

C12H12FN3OS — CID 55116256

IUPAC2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(N)n1)c1ccc(F)cc1
InChIInChI=1S/C12H12FN3OS/c1-7(8-2-4-9(13)5-3-8)15-11(17)10-6-18-12(14)16-10/h2-7H,1H3,(H2,14,16)(H,15,17)
InChIKeySJGPGFVIWYAOSB-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.36
Rot. Bonds3

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

2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 55116256) has the molecular formula C12H12FN3OS and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID55116256
Molecular FormulaC12H12FN3OS
Molecular Weight265.31 g/mol
Exact Mass265.07
IUPAC Name2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(N)n1)c1ccc(F)cc1
InChIInChI=1S/C12H12FN3OS/c1-7(8-2-4-9(13)5-3-8)15-11(17)10-6-18-12(14)16-10/h2-7H,1H3,(H2,14,16)(H,15,17)
InChIKeySJGPGFVIWYAOSB-UHFFFAOYSA-N
XLogP2.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 62787338
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81360148
2-(1-aminoethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81349122
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 62787678
2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158357
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62788576
2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 62787001
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62789080
2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
CID 95099206
6-amino-N-[1-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 55041899
2-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81379895

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide (CID 55116256) is 2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide is CC(NC(=O)c1csc(N)n1)c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SJGPGFVIWYAOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3OS/c1-7(8-2-4-9(13)5-3-8)15-11(17)10-6-18-12(14)16-10/h2-7H,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 2.36, 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-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55116256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).