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

C7H11F2N3O2S2 — CID 103364761

IUPAC5-N-(2,2-difluoroethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCC(F)F
InChIInChI=1S/C7H11F2N3O2S2/c1-2-16(13,14)5-6(10)12-15-7(5)11-3-4(8)9/h4,11H,2-3H2,1H3,(H2,10,12)
InChIKeyLWRYGDXRUTYXSL-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.20
Rot. Bonds5

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

5-N-(2,2-difluoroethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103364761) has the molecular formula C7H11F2N3O2S2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-N-(2,2-difluoroethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-difluoroethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103364761
Molecular FormulaC7H11F2N3O2S2
Molecular Weight271.31 g/mol
Exact Mass271.03
IUPAC Name5-N-(2,2-difluoroethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCC(F)F
InChIInChI=1S/C7H11F2N3O2S2/c1-2-16(13,14)5-6(10)12-15-7(5)11-3-4(8)9/h4,11H,2-3H2,1H3,(H2,10,12)
InChIKeyLWRYGDXRUTYXSL-UHFFFAOYSA-N
XLogP1.20
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-difluoroethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,2-difluoroethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine (CID 103364761) is 5-N-(2,2-difluoroethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,2-difluoroethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,2-difluoroethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1NCC(F)F.
What is the InChIKey of 5-N-(2,2-difluoroethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is LWRYGDXRUTYXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O2S2/c1-2-16(13,14)5-6(10)12-15-7(5)11-3-4(8)9/h4,11H,2-3H2,1H3,(H2,10,12).
What are the key properties of 5-N-(2,2-difluoroethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(2,2-difluoroethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 271.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-difluoroethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).