1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol

C9H12F3N3OS — CID 112737646

IUPAC1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol
SMILESNc1cnc(N2CCC(O)(C(F)(F)F)CC2)s1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)8(16)1-3-15(4-2-8)7-14-5-6(13)17-7/h5,16H,1-4,13H2
InChIKeyIQLFKKJZUWJMQC-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.62
Rot. Bonds1

About 1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol

1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 112737646) has the molecular formula C9H12F3N3OS and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol
PubChem CID112737646
Molecular FormulaC9H12F3N3OS
Molecular Weight267.28 g/mol
Exact Mass267.07
IUPAC Name1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol
SMILESNc1cnc(N2CCC(O)(C(F)(F)F)CC2)s1
InChIInChI=1S/C9H12F3N3OS/c10-9(11,12)8(16)1-3-15(4-2-8)7-14-5-6(13)17-7/h5,16H,1-4,13H2
InChIKeyIQLFKKJZUWJMQC-UHFFFAOYSA-N
XLogP1.62
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol (CID 112737646) is 1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol is Nc1cnc(N2CCC(O)(C(F)(F)F)CC2)s1.
What is the InChIKey of 1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is IQLFKKJZUWJMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3OS/c10-9(11,12)8(16)1-3-15(4-2-8)7-14-5-6(13)17-7/h5,16H,1-4,13H2.
What are the key properties of 1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol?
1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 267.28 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1,3-thiazol-2-yl)-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 112737646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).