4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine

C12H17F3N4S — CID 103362747

IUPAC4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
SMILESNc1nsc(N2CCN(CC(F)(F)F)CC2)c1C1CC1
InChIInChI=1S/C12H17F3N4S/c13-12(14,15)7-18-3-5-19(6-4-18)11-9(8-1-2-8)10(16)17-20-11/h8H,1-7H2,(H2,16,17)
InChIKeyYZOJAVAEXNTAQN-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.29
Rot. Bonds3

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

4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine (PubChem CID 103362747) has the molecular formula C12H17F3N4S and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
PubChem CID103362747
Molecular FormulaC12H17F3N4S
Molecular Weight306.36 g/mol
Exact Mass306.11
IUPAC Name4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
SMILESNc1nsc(N2CCN(CC(F)(F)F)CC2)c1C1CC1
InChIInChI=1S/C12H17F3N4S/c13-12(14,15)7-18-3-5-19(6-4-18)11-9(8-1-2-8)10(16)17-20-11/h8H,1-7H2,(H2,16,17)
InChIKeyYZOJAVAEXNTAQN-UHFFFAOYSA-N
XLogP2.29
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
The IUPAC name of 4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine (CID 103362747) is 4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine.
What is the SMILES notation for 4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
The canonical SMILES for 4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine is Nc1nsc(N2CCN(CC(F)(F)F)CC2)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
The InChIKey is YZOJAVAEXNTAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4S/c13-12(14,15)7-18-3-5-19(6-4-18)11-9(8-1-2-8)10(16)17-20-11/h8H,1-7H2,(H2,16,17).
What are the key properties of 4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine has a molecular weight of 306.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine is sourced from PubChem (CID 103362747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).