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

C16H14FN3OS — CID 53134303

IUPAC4-ethyl-N-(2-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-n2cccc2)sc1C(=O)Nc1ccccc1F
InChIInChI=1S/C16H14FN3OS/c1-2-12-14(22-16(19-12)20-9-5-6-10-20)15(21)18-13-8-4-3-7-11(13)17/h3-10H,2H2,1H3,(H,18,21)
InChIKeyXDHROUVFYGSKDD-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.89
Rot. Bonds4

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

4-ethyl-N-(2-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 53134303) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-ethyl-N-(2-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID53134303
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name4-ethyl-N-(2-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-n2cccc2)sc1C(=O)Nc1ccccc1F
InChIInChI=1S/C16H14FN3OS/c1-2-12-14(22-16(19-12)20-9-5-6-10-20)15(21)18-13-8-4-3-7-11(13)17/h3-10H,2H2,1H3,(H,18,21)
InChIKeyXDHROUVFYGSKDD-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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(2-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 53134303) is 4-ethyl-N-(2-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is CCc1nc(-n2cccc2)sc1C(=O)Nc1ccccc1F.
What is the InChIKey of 4-ethyl-N-(2-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is XDHROUVFYGSKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-2-12-14(22-16(19-12)20-9-5-6-10-20)15(21)18-13-8-4-3-7-11(13)17/h3-10H,2H2,1H3,(H,18,21).
What are the key properties of 4-ethyl-N-(2-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
4-ethyl-N-(2-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-(2-fluorophenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53134303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).