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

C11H7FN2S — CID 116867055

IUPAC4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
SMILESCc1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C11H7FN2S/c1-7-14-11(10(6-13)15-7)8-2-4-9(12)5-3-8/h2-5H,1H3
InChIKeyUACCMTXRQWHRKX-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.13
Rot. Bonds1

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

4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile (PubChem CID 116867055) has the molecular formula C11H7FN2S and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
PubChem CID116867055
Molecular FormulaC11H7FN2S
Molecular Weight218.26 g/mol
Exact Mass218.03
IUPAC Name4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
SMILESCc1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C11H7FN2S/c1-7-14-11(10(6-13)15-7)8-2-4-9(12)5-3-8/h2-5H,1H3
InChIKeyUACCMTXRQWHRKX-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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Related Compounds

4-(4-butan-2-ylphenyl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867072
4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867130
4-(1,3-benzoxazol-6-yl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867112
2-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazole-5-carbonitrile
CID 116867086
2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile
CID 116867149
6-[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 174974077
5-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-methyl-5-oxopentanoic acid
CID 25262643
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
2-amino-4-(3-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 83535265
2-[(5-bromo-2-ethyl-7-methyl-2H-pyrrolo[3,4-b]pyridin-3-yl)amino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 155643885
1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 63525974
4-ethyl-5-(4-fluorophenyl)-2-methyl-1,3-thiazole
CID 142101432

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile (CID 116867055) is 4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile is Cc1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile?
The InChIKey is UACCMTXRQWHRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2S/c1-7-14-11(10(6-13)15-7)8-2-4-9(12)5-3-8/h2-5H,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile?
4-(4-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-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 116867055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).