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

C12H19F3N4OS — CID 103362748

IUPAC4-propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
SMILESCC(C)Oc1c(N)nsc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N4OS/c1-8(2)20-9-10(16)17-21-11(9)19-5-3-18(4-6-19)7-12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,17)
InChIKeyZIEBMIINBFHPJM-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.20
Rot. Bonds4

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

4-propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine (PubChem CID 103362748) has the molecular formula C12H19F3N4OS and a molecular weight of 324.37 g/mol. Its IUPAC name is 4-propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
PubChem CID103362748
Molecular FormulaC12H19F3N4OS
Molecular Weight324.37 g/mol
Exact Mass324.12
IUPAC Name4-propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
SMILESCC(C)Oc1c(N)nsc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N4OS/c1-8(2)20-9-10(16)17-21-11(9)19-5-3-18(4-6-19)7-12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,17)
InChIKeyZIEBMIINBFHPJM-UHFFFAOYSA-N
XLogP2.20
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
The IUPAC name of 4-propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine (CID 103362748) is 4-propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine.
What is the SMILES notation for 4-propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
The canonical SMILES for 4-propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine is CC(C)Oc1c(N)nsc1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
The InChIKey is ZIEBMIINBFHPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4OS/c1-8(2)20-9-10(16)17-21-11(9)19-5-3-18(4-6-19)7-12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,17).
What are the key properties of 4-propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
4-propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine has a molecular weight of 324.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine is sourced from PubChem (CID 103362748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).