4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine

C11H19N3O4S2 — CID 103365449

IUPAC4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCC1(OC)CCOC1
InChIInChI=1S/C11H19N3O4S2/c1-3-20(15,16)8-9(12)14-19-10(8)13-6-11(17-2)4-5-18-7-11/h13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyUUIRUCMLCUILQX-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.74
Rot. Bonds6

About 4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine

4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103365449) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103365449
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCC1(OC)CCOC1
InChIInChI=1S/C11H19N3O4S2/c1-3-20(15,16)8-9(12)14-19-10(8)13-6-11(17-2)4-5-18-7-11/h13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyUUIRUCMLCUILQX-UHFFFAOYSA-N
XLogP0.74
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103365449) is 4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1NCC1(OC)CCOC1.
What is the InChIKey of 4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is UUIRUCMLCUILQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-3-20(15,16)8-9(12)14-19-10(8)13-6-11(17-2)4-5-18-7-11/h13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 321.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-N-[(3-methoxyoxolan-3-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).