2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine

C8H11F2N3S — CID 164645643

IUPAC2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine
SMILESNc1cnc(N2CCC(F)(F)CC2)s1
InChIInChI=1S/C8H11F2N3S/c9-8(10)1-3-13(4-2-8)7-12-5-6(11)14-7/h5H,1-4,11H2
InChIKeyYBKFZWLKNVVMMD-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.96
Rot. Bonds1

About 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine

2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine (PubChem CID 164645643) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine
PubChem CID164645643
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine
SMILESNc1cnc(N2CCC(F)(F)CC2)s1
InChIInChI=1S/C8H11F2N3S/c9-8(10)1-3-13(4-2-8)7-12-5-6(11)14-7/h5H,1-4,11H2
InChIKeyYBKFZWLKNVVMMD-UHFFFAOYSA-N
XLogP1.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(4,4-Difluoropiperidin-1-yl)ethylsulfanyl]-1,3-thiazol-2-amine
CID 58328482
2-(4,4-Difluoropiperidin-1-yl)thiazole
CID 121184631
2-(3-Fluoropiperidin-1-yl)-1,3-thiazole
CID 145898296
5-Bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole
CID 170621557
3,3,3-Trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 43752673
4,4,4-Trifluoro-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine
CID 43753144
1,1,1-Trifluoro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-3-amine
CID 61646899
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine
CID 78978297
2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102767283
2-N-methyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102767737
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102768077
2-N-cyclopropyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102768083

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine (CID 164645643) is 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine is Nc1cnc(N2CCC(F)(F)CC2)s1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine?
The InChIKey is YBKFZWLKNVVMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c9-8(10)1-3-13(4-2-8)7-12-5-6(11)14-7/h5H,1-4,11H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine?
2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine has a molecular weight of 219.26 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 164645643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).