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

C10H15F3N4S2 — CID 103362744

IUPAC4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
SMILESCSc1c(N)nsc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N4S2/c1-18-7-8(14)15-19-9(7)17-4-2-16(3-5-17)6-10(11,12)13/h2-6H2,1H3,(H2,14,15)
InChIKeyVBWORYQALXQAMU-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.13
Rot. Bonds3

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

4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine (PubChem CID 103362744) has the molecular formula C10H15F3N4S2 and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
PubChem CID103362744
Molecular FormulaC10H15F3N4S2
Molecular Weight312.39 g/mol
Exact Mass312.07
IUPAC Name4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
SMILESCSc1c(N)nsc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N4S2/c1-18-7-8(14)15-19-9(7)17-4-2-16(3-5-17)6-10(11,12)13/h2-6H2,1H3,(H2,14,15)
InChIKeyVBWORYQALXQAMU-UHFFFAOYSA-N
XLogP2.13
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
The IUPAC name of 4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine (CID 103362744) is 4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine.
What is the SMILES notation for 4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
The canonical SMILES for 4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine is CSc1c(N)nsc1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
The InChIKey is VBWORYQALXQAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S2/c1-18-7-8(14)15-19-9(7)17-4-2-16(3-5-17)6-10(11,12)13/h2-6H2,1H3,(H2,14,15).
What are the key properties of 4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine?
4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine has a molecular weight of 312.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine is sourced from PubChem (CID 103362744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).