2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol

C9H17N3O4S2 — CID 103360672

IUPAC2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCCS(=O)(=O)c1c(N)nsc1N(CCO)CCO
InChIInChI=1S/C9H17N3O4S2/c1-2-18(15,16)7-8(10)11-17-9(7)12(3-5-13)4-6-14/h13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyZKYIZVXKCPOMHK-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.69
Rot. Bonds7

About 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol

2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 103360672) has the molecular formula C9H17N3O4S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID103360672
Molecular FormulaC9H17N3O4S2
Molecular Weight295.39 g/mol
Exact Mass295.07
IUPAC Name2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCCS(=O)(=O)c1c(N)nsc1N(CCO)CCO
InChIInChI=1S/C9H17N3O4S2/c1-2-18(15,16)7-8(10)11-17-9(7)12(3-5-13)4-6-14/h13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyZKYIZVXKCPOMHK-UHFFFAOYSA-N
XLogP-0.69
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol (CID 103360672) is 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol is CCS(=O)(=O)c1c(N)nsc1N(CCO)CCO.
What is the InChIKey of 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is ZKYIZVXKCPOMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S2/c1-2-18(15,16)7-8(10)11-17-9(7)12(3-5-13)4-6-14/h13-14H,2-6H2,1H3,(H2,10,11).
What are the key properties of 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 295.39 g/mol, XLogP of -0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 103360672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).