2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane

C12H17F2N3S — CID 144898608

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane
SMILESCC.N#CC(c1nccs1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H11F2N3S.C2H6/c11-10(12)1-4-15(5-2-10)8(7-13)9-14-3-6-16-9;1-2/h3,6,8H,1-2,4-5H2;1-2H3
InChIKeyXLZCMNSZXBHBLT-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.47
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane

2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane (PubChem CID 144898608) has the molecular formula C12H17F2N3S and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane
PubChem CID144898608
Molecular FormulaC12H17F2N3S
Molecular Weight273.35 g/mol
Exact Mass273.11
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane
SMILESCC.N#CC(c1nccs1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H11F2N3S.C2H6/c11-10(12)1-4-15(5-2-10)8(7-13)9-14-3-6-16-9;1-2/h3,6,8H,1-2,4-5H2;1-2H3
InChIKeyXLZCMNSZXBHBLT-UHFFFAOYSA-N
XLogP3.47
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4,4-Difluoropiperidin-1-yl)ethylsulfanyl]-2-methyl-1,3-thiazole
CID 58328458
2-[1-(Trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
CID 69098575
2-[6-Methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
CID 69099008
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile
CID 118297230
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 118297231
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane
CID 142825973
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
CID 142825974
2-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 174498442
2-[4-Fluoro-1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole
CID 174585514
N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61284047
N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63242529
N-[1-(1,3-thiazol-2-yl)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64488016

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane (CID 144898608) is 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane is CC.N#CC(c1nccs1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane?
The InChIKey is XLZCMNSZXBHBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3S.C2H6/c11-10(12)1-4-15(5-2-10)8(7-13)9-14-3-6-16-9;1-2/h3,6,8H,1-2,4-5H2;1-2H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane?
2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane has a molecular weight of 273.35 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)acetonitrile;ethane is sourced from PubChem (CID 144898608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).