N-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine

C9H12F3N3S — CID 86641647

IUPACN-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(NC2CCNCC2)n1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)7-5-16-8(15-7)14-6-1-3-13-4-2-6/h5-6,13H,1-4H2,(H,14,15)
InChIKeySPEMHBZVJFZZHQ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.33
Rot. Bonds2

About N-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 86641647) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is N-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID86641647
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC NameN-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(NC2CCNCC2)n1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)7-5-16-8(15-7)14-6-1-3-13-4-2-6/h5-6,13H,1-4H2,(H,14,15)
InChIKeySPEMHBZVJFZZHQ-UHFFFAOYSA-N
XLogP2.33
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 86641647) is N-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine is FC(F)(F)c1csc(NC2CCNCC2)n1.
What is the InChIKey of N-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is SPEMHBZVJFZZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c10-9(11,12)7-5-16-8(15-7)14-6-1-3-13-4-2-6/h5-6,13H,1-4H2,(H,14,15).
What are the key properties of N-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 251.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 86641647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).