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

C8H12FN3S — CID 164659383

IUPAC5-(4-fluoropiperidin-1-yl)-1,2-thiazol-3-amine
SMILESNc1cc(N2CCC(F)CC2)sn1
InChIInChI=1S/C8H12FN3S/c9-6-1-3-12(4-2-6)8-5-7(10)11-13-8/h5-6H,1-4H2,(H2,10,11)
InChIKeyVPAPFQPMYVYZBB-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.66
Rot. Bonds1

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

5-(4-fluoropiperidin-1-yl)-1,2-thiazol-3-amine (PubChem CID 164659383) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-(4-fluoropiperidin-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(4-fluoropiperidin-1-yl)-1,2-thiazol-3-amine
PubChem CID164659383
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC Name5-(4-fluoropiperidin-1-yl)-1,2-thiazol-3-amine
SMILESNc1cc(N2CCC(F)CC2)sn1
InChIInChI=1S/C8H12FN3S/c9-6-1-3-12(4-2-6)8-5-7(10)11-13-8/h5-6H,1-4H2,(H2,10,11)
InChIKeyVPAPFQPMYVYZBB-UHFFFAOYSA-N
XLogP1.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360598
5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360699
5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360709
5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360729
5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361151
5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363225
5-[3-(Trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363231
5-[4-(Trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363237
5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364953
5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103364979
5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365695
5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 113806952

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoropiperidin-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 5-(4-fluoropiperidin-1-yl)-1,2-thiazol-3-amine (CID 164659383) is 5-(4-fluoropiperidin-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(4-fluoropiperidin-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 5-(4-fluoropiperidin-1-yl)-1,2-thiazol-3-amine is Nc1cc(N2CCC(F)CC2)sn1.
What is the InChIKey of 5-(4-fluoropiperidin-1-yl)-1,2-thiazol-3-amine?
The InChIKey is VPAPFQPMYVYZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3S/c9-6-1-3-12(4-2-6)8-5-7(10)11-13-8/h5-6H,1-4H2,(H2,10,11).
What are the key properties of 5-(4-fluoropiperidin-1-yl)-1,2-thiazol-3-amine?
5-(4-fluoropiperidin-1-yl)-1,2-thiazol-3-amine has a molecular weight of 201.27 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoropiperidin-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 164659383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).