1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one

C16H10FNOS2 — CID 72686242

IUPAC1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one
SMILESO=C(C=Cc1csc(-c2cccs2)n1)c1ccc(F)cc1
InChIInChI=1S/C16H10FNOS2/c17-12-5-3-11(4-6-12)14(19)8-7-13-10-21-16(18-13)15-2-1-9-20-15/h1-10H
InChIKeySBMWOEDMIOPXBV-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.91
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one

1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one (PubChem CID 72686242) has the molecular formula C16H10FNOS2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one
PubChem CID72686242
Molecular FormulaC16H10FNOS2
Molecular Weight315.39 g/mol
Exact Mass315.02
IUPAC Name1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one
SMILESO=C(C=Cc1csc(-c2cccs2)n1)c1ccc(F)cc1
InChIInChI=1S/C16H10FNOS2/c17-12-5-3-11(4-6-12)14(19)8-7-13-10-21-16(18-13)15-2-1-9-20-15/h1-10H
InChIKeySBMWOEDMIOPXBV-UHFFFAOYSA-N
XLogP4.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one (CID 72686242) is 1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one is O=C(C=Cc1csc(-c2cccs2)n1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one?
The InChIKey is SBMWOEDMIOPXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNOS2/c17-12-5-3-11(4-6-12)14(19)8-7-13-10-21-16(18-13)15-2-1-9-20-15/h1-10H.
What are the key properties of 1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one?
1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one has a molecular weight of 315.39 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 72686242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).