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

C11H7F2N3S — CID 116867209

IUPAC4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile
SMILESCNc1nc(-c2cc(F)ccc2F)c(C#N)s1
InChIInChI=1S/C11H7F2N3S/c1-15-11-16-10(9(5-14)17-11)7-4-6(12)2-3-8(7)13/h2-4H,1H3,(H,15,16)
InChIKeyAYQVWFONUPQBKM-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.00
Rot. Bonds2

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

4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile (PubChem CID 116867209) has the molecular formula C11H7F2N3S and a molecular weight of 251.26 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile
PubChem CID116867209
Molecular FormulaC11H7F2N3S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Name4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile
SMILESCNc1nc(-c2cc(F)ccc2F)c(C#N)s1
InChIInChI=1S/C11H7F2N3S/c1-15-11-16-10(9(5-14)17-11)7-4-6(12)2-3-8(7)13/h2-4H,1H3,(H,15,16)
InChIKeyAYQVWFONUPQBKM-UHFFFAOYSA-N
XLogP3.00
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-difluorophenyl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 116886180
cis-(1R,3S)-3-[[5-cyano-4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 87301591
2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile
CID 116867246
4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 17457742
2-(2,5-difluorophenyl)-6-(methylamino)pyrimidine-4-carbonitrile
CID 116862775
2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 82487442
4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine
CID 82342230
2-(methylamino)-4-(1-methylbenzimidazol-5-yl)-1,3-thiazole-5-carbonitrile
CID 116867225
6-(2,5-difluorophenyl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219513
2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 116887626
N-[5-cyano-4-(2,4,5-trifluoro-3-methylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 87301474
4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867055

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile (CID 116867209) is 4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile is CNc1nc(-c2cc(F)ccc2F)c(C#N)s1.
What is the InChIKey of 4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile?
The InChIKey is AYQVWFONUPQBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N3S/c1-15-11-16-10(9(5-14)17-11)7-4-6(12)2-3-8(7)13/h2-4H,1H3,(H,15,16).
What are the key properties of 4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile?
4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile has a molecular weight of 251.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 116867209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).