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

C15H16FN3O2S — CID 53158357

IUPAC2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
SMILESCCNC(=O)c1nc(C(=O)NC(C)c2ccc(F)cc2)cs1
InChIInChI=1S/C15H16FN3O2S/c1-3-17-14(21)15-19-12(8-22-15)13(20)18-9(2)10-4-6-11(16)7-5-10/h4-9H,3H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyJQMRZURMCDZPGJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.52
Rot. Bonds5

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

2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide (PubChem CID 53158357) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
PubChem CID53158357
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC Name2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
SMILESCCNC(=O)c1nc(C(=O)NC(C)c2ccc(F)cc2)cs1
InChIInChI=1S/C15H16FN3O2S/c1-3-17-14(21)15-19-12(8-22-15)13(20)18-9(2)10-4-6-11(16)7-5-10/h4-9H,3H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyJQMRZURMCDZPGJ-UHFFFAOYSA-N
XLogP2.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide
CID 95099186
2-N-cyclopentyl-4-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
CID 95099206
2-amino-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55116256
2-(1-aminoethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81349122
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696883
ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106216641
2-[(4-fluorophenyl)carbamoylamino]-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 16948948
methyl 2-[1-(4-fluorophenyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 113306846
N-ethyl-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 81347490
2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 62787338
N-[1-(4-fluorophenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618061

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide?
The IUPAC name of 2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide (CID 53158357) is 2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide?
The canonical SMILES for 2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide is CCNC(=O)c1nc(C(=O)NC(C)c2ccc(F)cc2)cs1.
What is the InChIKey of 2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide?
The InChIKey is JQMRZURMCDZPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c1-3-17-14(21)15-19-12(8-22-15)13(20)18-9(2)10-4-6-11(16)7-5-10/h4-9H,3H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide?
2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide is sourced from PubChem (CID 53158357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).