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

C12H16F3N3S — CID 103363235

IUPAC4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESNc1nsc(N2CCC(C(F)(F)F)CC2)c1C1CC1
InChIInChI=1S/C12H16F3N3S/c13-12(14,15)8-3-5-18(6-4-8)11-9(7-1-2-7)10(16)17-19-11/h7-8H,1-6H2,(H2,16,17)
InChIKeyKQZLTUJYPWEGKD-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.38
Rot. Bonds2

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

4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (PubChem CID 103363235) has the molecular formula C12H16F3N3S and a molecular weight of 291.34 g/mol. Its IUPAC name is 4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
PubChem CID103363235
Molecular FormulaC12H16F3N3S
Molecular Weight291.34 g/mol
Exact Mass291.10
IUPAC Name4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESNc1nsc(N2CCC(C(F)(F)F)CC2)c1C1CC1
InChIInChI=1S/C12H16F3N3S/c13-12(14,15)8-3-5-18(6-4-8)11-9(7-1-2-7)10(16)17-19-11/h7-8H,1-6H2,(H2,16,17)
InChIKeyKQZLTUJYPWEGKD-UHFFFAOYSA-N
XLogP3.38
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The IUPAC name of 4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (CID 103363235) is 4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.
What is the SMILES notation for 4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The canonical SMILES for 4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is Nc1nsc(N2CCC(C(F)(F)F)CC2)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The InChIKey is KQZLTUJYPWEGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3S/c13-12(14,15)8-3-5-18(6-4-8)11-9(7-1-2-7)10(16)17-19-11/h7-8H,1-6H2,(H2,16,17).
What are the key properties of 4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine has a molecular weight of 291.34 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is sourced from PubChem (CID 103363235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).