N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

C18H14FN3O2S — CID 78835538

IUPACN-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)C(NC(=O)c1csc(-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C18H14FN3O2S/c19-13-8-6-12(7-9-13)18-21-14(10-25-18)17(24)22-15(16(20)23)11-4-2-1-3-5-11/h1-10,15H,(H2,20,23)(H,22,24)
InChIKeyBAJYHXKSZFFFGE-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.91
Rot. Bonds5

About N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 78835538) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID78835538
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNC(=O)C(NC(=O)c1csc(-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C18H14FN3O2S/c19-13-8-6-12(7-9-13)18-21-14(10-25-18)17(24)22-15(16(20)23)11-4-2-1-3-5-11/h1-10,15H,(H2,20,23)(H,22,24)
InChIKeyBAJYHXKSZFFFGE-UHFFFAOYSA-N
XLogP2.91
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyano-2-oxoethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 75455599
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 18229378
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 51475340
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 18230190
N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid
CID 62787046
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 94798658
(2R)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 71417855
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 8824550
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24512523
2-phenoxyethyl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 78815304

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 78835538) is N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is NC(=O)C(NC(=O)c1csc(-c2ccc(F)cc2)n1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BAJYHXKSZFFFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-13-8-6-12(7-9-13)18-21-14(10-25-18)17(24)22-15(16(20)23)11-4-2-1-3-5-11/h1-10,15H,(H2,20,23)(H,22,24).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78835538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).