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

C11H6F2N2S — CID 116886180

IUPAC2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile
SMILESCc1nc(-c2cc(F)ccc2F)sc1C#N
InChIInChI=1S/C11H6F2N2S/c1-6-10(5-14)16-11(15-6)8-4-7(12)2-3-9(8)13/h2-4H,1H3
InChIKeyGWYGANJXNBVJOH-UHFFFAOYSA-N
MW236.25 g/mol
LogP3.27
Rot. Bonds1

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

2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile (PubChem CID 116886180) has the molecular formula C11H6F2N2S and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile
PubChem CID116886180
Molecular FormulaC11H6F2N2S
Molecular Weight236.25 g/mol
Exact Mass236.02
IUPAC Name2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile
SMILESCc1nc(-c2cc(F)ccc2F)sc1C#N
InChIInChI=1S/C11H6F2N2S/c1-6-10(5-14)16-11(15-6)8-4-7(12)2-3-9(8)13/h2-4H,1H3
InChIKeyGWYGANJXNBVJOH-UHFFFAOYSA-N
XLogP3.27
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 116887626
4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile
CID 116867209
1-[2-(2,5-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-one
CID 116886434
6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219513
2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 82427290
2-(5-chloro-2-fluorophenyl)-N,4-dimethyl-1,3-thiazol-5-amine
CID 116885849
2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile
CID 116862775
2-chloro-5-(2,5-difluorophenyl)-1,3,4-thiadiazole
CID 63385959
[5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine
CID 116868261
5-(2,5-difluorophenyl)-3-methyl-1,2-oxazole
CID 116868922
4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867130
2-(3H-benzimidazol-5-yl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886203

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile (CID 116886180) is 2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile is Cc1nc(-c2cc(F)ccc2F)sc1C#N.
What is the InChIKey of 2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile?
The InChIKey is GWYGANJXNBVJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2S/c1-6-10(5-14)16-11(15-6)8-4-7(12)2-3-9(8)13/h2-4H,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile?
2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile has a molecular weight of 236.25 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 116886180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).