4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C16H14FN3OS — CID 53134305

IUPAC4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FN3OS/c1-2-13-14(22-16(19-13)20-9-3-4-10-20)15(21)18-12-7-5-11(17)6-8-12/h3-10H,2H2,1H3,(H,18,21)
InChIKeyTUMKTDSOYMSMDJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.89
Rot. Bonds4

About 4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 53134305) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID53134305
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14FN3OS/c1-2-13-14(22-16(19-13)20-9-3-4-10-20)15(21)18-12-7-5-11(17)6-8-12/h3-10H,2H2,1H3,(H,18,21)
InChIKeyTUMKTDSOYMSMDJ-UHFFFAOYSA-N
XLogP3.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 25094875
2-(3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25094877
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095149
2-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481190
2-(3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481196
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-4-ylmethyl)thiazole-5-carboxamide
CID 59481229
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 59481280
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481303
4-methyl-2-(2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl)-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481307
2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481312
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 684717

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 53134305) is 4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is CCc1nc(-n2cccc2)sc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is TUMKTDSOYMSMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-2-13-14(22-16(19-13)20-9-3-4-10-20)15(21)18-12-7-5-11(17)6-8-12/h3-10H,2H2,1H3,(H,18,21).
What are the key properties of 4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53134305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).