4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile

C11H7FN2S — CID 116867130

IUPAC4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
SMILESCc1nc(-c2ccccc2F)c(C#N)s1
InChIInChI=1S/C11H7FN2S/c1-7-14-11(10(6-13)15-7)8-4-2-3-5-9(8)12/h2-5H,1H3
InChIKeyORJQNZWYWYFXLV-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.13
Rot. Bonds1

About 4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile

4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile (PubChem CID 116867130) has the molecular formula C11H7FN2S and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
PubChem CID116867130
Molecular FormulaC11H7FN2S
Molecular Weight218.26 g/mol
Exact Mass218.03
IUPAC Name4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
SMILESCc1nc(-c2ccccc2F)c(C#N)s1
InChIInChI=1S/C11H7FN2S/c1-7-14-11(10(6-13)15-7)8-4-2-3-5-9(8)12/h2-5H,1H3
InChIKeyORJQNZWYWYFXLV-UHFFFAOYSA-N
XLogP3.13
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile (CID 116867130) is 4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile is Cc1nc(-c2ccccc2F)c(C#N)s1.
What is the InChIKey of 4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile?
The InChIKey is ORJQNZWYWYFXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2S/c1-7-14-11(10(6-13)15-7)8-4-2-3-5-9(8)12/h2-5H,1H3.
What are the key properties of 4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile?
4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 116867130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).