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

C11H16F3N3O2S2 — CID 103363232

IUPAC4-ethylsulfonyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESCCS(=O)(=O)c1c(N)nsc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O2S2/c1-2-21(18,19)8-9(15)16-20-10(8)17-5-3-7(4-6-17)11(12,13)14/h7H,2-6H2,1H3,(H2,15,16)
InChIKeyYHGZDAMGISMSSY-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.30
Rot. Bonds3

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

4-ethylsulfonyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (PubChem CID 103363232) has the molecular formula C11H16F3N3O2S2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
PubChem CID103363232
Molecular FormulaC11H16F3N3O2S2
Molecular Weight343.40 g/mol
Exact Mass343.06
IUPAC Name4-ethylsulfonyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
SMILESCCS(=O)(=O)c1c(N)nsc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H16F3N3O2S2/c1-2-21(18,19)8-9(15)16-20-10(8)17-5-3-7(4-6-17)11(12,13)14/h7H,2-6H2,1H3,(H2,15,16)
InChIKeyYHGZDAMGISMSSY-UHFFFAOYSA-N
XLogP2.30
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The IUPAC name of 4-ethylsulfonyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine (CID 103363232) is 4-ethylsulfonyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine.
What is the SMILES notation for 4-ethylsulfonyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The canonical SMILES for 4-ethylsulfonyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is CCS(=O)(=O)c1c(N)nsc1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-ethylsulfonyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
The InChIKey is YHGZDAMGISMSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S2/c1-2-21(18,19)8-9(15)16-20-10(8)17-5-3-7(4-6-17)11(12,13)14/h7H,2-6H2,1H3,(H2,15,16).
What are the key properties of 4-ethylsulfonyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine?
4-ethylsulfonyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine has a molecular weight of 343.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine is sourced from PubChem (CID 103363232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).