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

C11H17F3N4OS — CID 103362745

IUPAC4-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
SMILESCCOc1c(N)nsc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N4OS/c1-2-19-8-9(15)16-20-10(8)18-5-3-17(4-6-18)7-11(12,13)14/h2-7H2,1H3,(H2,15,16)
InChIKeyXSUKXLUPSGKFTD-UHFFFAOYSA-N
MW310.35 g/mol
LogP1.81
Rot. Bonds4

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

4-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine (PubChem CID 103362745) has the molecular formula C11H17F3N4OS and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
PubChem CID103362745
Molecular FormulaC11H17F3N4OS
Molecular Weight310.35 g/mol
Exact Mass310.11
IUPAC Name4-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
SMILESCCOc1c(N)nsc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N4OS/c1-2-19-8-9(15)16-20-10(8)18-5-3-17(4-6-18)7-11(12,13)14/h2-7H2,1H3,(H2,15,16)
InChIKeyXSUKXLUPSGKFTD-UHFFFAOYSA-N
XLogP1.81
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360595
4-ethoxy-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360696
5-N-propan-2-yl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360698
5-N-ethyl-4-propan-2-yloxy-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360708
4-ethoxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360726
4-propan-2-yloxy-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360728
4-ethoxy-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361147
4-propan-2-yloxy-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361150
4-propan-2-yloxy-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103361720
4-Propan-2-yloxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 103362748
4-ethoxy-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363221
5-N-methyl-4-propan-2-yloxy-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363224

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
The IUPAC name of 4-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine (CID 103362745) is 4-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine.
What is the SMILES notation for 4-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
The canonical SMILES for 4-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine is CCOc1c(N)nsc1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
The InChIKey is XSUKXLUPSGKFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4OS/c1-2-19-8-9(15)16-20-10(8)18-5-3-17(4-6-18)7-11(12,13)14/h2-7H2,1H3,(H2,15,16).
What are the key properties of 4-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
4-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine has a molecular weight of 310.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine is sourced from PubChem (CID 103362745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).