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

C10H14F3N3O2S2 — CID 103382168

IUPAC4-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESCS(=O)(=O)c1c(N)nsc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H14F3N3O2S2/c1-20(17,18)7-8(14)15-19-9(7)16-4-2-3-6(5-16)10(11,12)13/h6H,2-5H2,1H3,(H2,14,15)
InChIKeyJPCKOQZVGCFEJY-UHFFFAOYSA-N
MW329.37 g/mol
LogP1.91
Rot. Bonds2

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

4-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (PubChem CID 103382168) has the molecular formula C10H14F3N3O2S2 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
PubChem CID103382168
Molecular FormulaC10H14F3N3O2S2
Molecular Weight329.37 g/mol
Exact Mass329.05
IUPAC Name4-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESCS(=O)(=O)c1c(N)nsc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H14F3N3O2S2/c1-20(17,18)7-8(14)15-19-9(7)16-4-2-3-6(5-16)10(11,12)13/h6H,2-5H2,1H3,(H2,14,15)
InChIKeyJPCKOQZVGCFEJY-UHFFFAOYSA-N
XLogP1.91
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The IUPAC name of 4-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (CID 103382168) is 4-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.
What is the SMILES notation for 4-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The canonical SMILES for 4-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is CS(=O)(=O)c1c(N)nsc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The InChIKey is JPCKOQZVGCFEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S2/c1-20(17,18)7-8(14)15-19-9(7)16-4-2-3-6(5-16)10(11,12)13/h6H,2-5H2,1H3,(H2,14,15).
What are the key properties of 4-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
4-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine has a molecular weight of 329.37 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is sourced from PubChem (CID 103382168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).