2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine

C9H12F3N3S — CID 102768639

IUPAC2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine
SMILESNc1cnc(N2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)6-1-3-15(4-2-6)8-14-5-7(13)16-8/h5-6H,1-4,13H2
InChIKeyAJHQRGVXCUSDFF-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.50
Rot. Bonds1

About 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine

2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine (PubChem CID 102768639) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine
PubChem CID102768639
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine
SMILESNc1cnc(N2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)6-1-3-15(4-2-6)8-14-5-7(13)16-8/h5-6H,1-4,13H2
InChIKeyAJHQRGVXCUSDFF-UHFFFAOYSA-N
XLogP2.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-N-propyl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102768085
2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)-1,3-thiazole-2,5-diamine
CID 102768086
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-amine
CID 102768376
2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine
CID 102768430
2-N-methyl-2-N-(3,3,3-trifluoropropyl)-1,3-thiazole-2,5-diamine
CID 102768635
2-[3-(Trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine
CID 102768637
2-N-(4,4,4-trifluorobutyl)-1,3-thiazole-2,5-diamine
CID 102768858
2-N-(5,5,5-trifluoropentyl)-1,3-thiazole-2,5-diamine
CID 102768859
2-N-(2,2-difluoroethyl)-2-N-methyl-1,3-thiazole-2,5-diamine
CID 102769071

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine?
The IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine (CID 102768639) is 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine.
What is the SMILES notation for 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine?
The canonical SMILES for 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine is Nc1cnc(N2CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine?
The InChIKey is AJHQRGVXCUSDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c10-9(11,12)6-1-3-15(4-2-6)8-14-5-7(13)16-8/h5-6H,1-4,13H2.
What are the key properties of 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine?
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine has a molecular weight of 251.28 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-amine is sourced from PubChem (CID 102768639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).