2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile

C16H11FN2S2 — CID 22911930

IUPAC2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile
SMILESCc1csc(-c2sc(CC#N)nc2-c2ccc(F)cc2)c1
InChIInChI=1S/C16H11FN2S2/c1-10-8-13(20-9-10)16-15(19-14(21-16)6-7-18)11-2-4-12(17)5-3-11/h2-5,8-9H,6H2,1H3
InChIKeyZLXKEZJXXVWUMI-UHFFFAOYSA-N
MW314.41 g/mol
LogP5.05
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile

2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile (PubChem CID 22911930) has the molecular formula C16H11FN2S2 and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile
PubChem CID22911930
Molecular FormulaC16H11FN2S2
Molecular Weight314.41 g/mol
Exact Mass314.03
IUPAC Name2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile
SMILESCc1csc(-c2sc(CC#N)nc2-c2ccc(F)cc2)c1
InChIInChI=1S/C16H11FN2S2/c1-10-8-13(20-9-10)16-15(19-14(21-16)6-7-18)11-2-4-12(17)5-3-11/h2-5,8-9H,6H2,1H3
InChIKeyZLXKEZJXXVWUMI-UHFFFAOYSA-N
XLogP5.05
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.41
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile (CID 22911930) is 2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile is Cc1csc(-c2sc(CC#N)nc2-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile?
The InChIKey is ZLXKEZJXXVWUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2S2/c1-10-8-13(20-9-10)16-15(19-14(21-16)6-7-18)11-2-4-12(17)5-3-11/h2-5,8-9H,6H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile?
2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile has a molecular weight of 314.41 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-5-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetonitrile is sourced from PubChem (CID 22911930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).