2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile

C12H16FN3S — CID 118302993

IUPAC2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile
SMILESCc1ncc(C(C#N)N2CCC(C)(F)CC2)s1
InChIInChI=1S/C12H16FN3S/c1-9-15-8-11(17-9)10(7-14)16-5-3-12(2,13)4-6-16/h8,10H,3-6H2,1-2H3
InChIKeyUZBGRHQEFDWJSX-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.84
Rot. Bonds2

About 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile

2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile (PubChem CID 118302993) has the molecular formula C12H16FN3S and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile
PubChem CID118302993
Molecular FormulaC12H16FN3S
Molecular Weight253.35 g/mol
Exact Mass253.10
IUPAC Name2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile
SMILESCc1ncc(C(C#N)N2CCC(C)(F)CC2)s1
InChIInChI=1S/C12H16FN3S/c1-9-15-8-11(17-9)10(7-14)16-5-3-12(2,13)4-6-16/h8,10H,3-6H2,1-2H3
InChIKeyUZBGRHQEFDWJSX-UHFFFAOYSA-N
XLogP2.84
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)acetonitrile
CID 118297229
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 118297235
2-(4,4-Difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 118302995
2-(4,4-Difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethanamine
CID 118303036
2-(2-Tert-butyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
CID 123595071
5-[1-(4,4-Difluoropiperidin-1-yl)pent-2-ynyl]-1,3-thiazole
CID 123946336
2-(4,4-Difluoropiperidin-1-yl)-2-(2-ethyl-1,3-thiazol-5-yl)acetonitrile
CID 124183586
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile
CID 124183587
2-(2-Cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
CID 124183589
2-(4,4-Difluoro-2-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile
CID 124183591
2-(2-Cyclopropyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)acetonitrile
CID 124183592
2-(4,4-Difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)acetonitrile
CID 124183593

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile?
The IUPAC name of 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile (CID 118302993) is 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile is Cc1ncc(C(C#N)N2CCC(C)(F)CC2)s1.
What is the InChIKey of 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile?
The InChIKey is UZBGRHQEFDWJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3S/c1-9-15-8-11(17-9)10(7-14)16-5-3-12(2,13)4-6-16/h8,10H,3-6H2,1-2H3.
What are the key properties of 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile?
2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile has a molecular weight of 253.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-4-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)acetonitrile is sourced from PubChem (CID 118302993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).