5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

C9H14F3N3O2S2 — CID 103360702

IUPAC5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCN(CC(F)(F)F)c1snc(N)c1S(=O)(=O)CC
InChIInChI=1S/C9H14F3N3O2S2/c1-3-15(5-9(10,11)12)8-6(7(13)14-18-8)19(16,17)4-2/h3-5H2,1-2H3,(H2,13,14)
InChIKeyPSKUQSANPRFOGF-UHFFFAOYSA-N
MW317.36 g/mol
LogP1.91
Rot. Bonds5

About 5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360702) has the molecular formula C9H14F3N3O2S2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360702
Molecular FormulaC9H14F3N3O2S2
Molecular Weight317.36 g/mol
Exact Mass317.05
IUPAC Name5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCN(CC(F)(F)F)c1snc(N)c1S(=O)(=O)CC
InChIInChI=1S/C9H14F3N3O2S2/c1-3-15(5-9(10,11)12)8-6(7(13)14-18-8)19(16,17)4-2/h3-5H2,1-2H3,(H2,13,14)
InChIKeyPSKUQSANPRFOGF-UHFFFAOYSA-N
XLogP1.91
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103360702) is 5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CCN(CC(F)(F)F)c1snc(N)c1S(=O)(=O)CC.
What is the InChIKey of 5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is PSKUQSANPRFOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2S2/c1-3-15(5-9(10,11)12)8-6(7(13)14-18-8)19(16,17)4-2/h3-5H2,1-2H3,(H2,13,14).
What are the key properties of 5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 317.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-4-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).