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

C7H13N3O2S — CID 103360679

IUPAC2-[(3-amino-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1cc(N(CCO)CCO)sn1
InChIInChI=1S/C7H13N3O2S/c8-6-5-7(13-9-6)10(1-3-11)2-4-12/h5,11-12H,1-4H2,(H2,8,9)
InChIKeySXQAIROHXNYPQM-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.48
Rot. Bonds5

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

2-[(3-amino-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 103360679) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-[(3-amino-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID103360679
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name2-[(3-amino-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
SMILESNc1cc(N(CCO)CCO)sn1
InChIInChI=1S/C7H13N3O2S/c8-6-5-7(13-9-6)10(1-3-11)2-4-12/h5,11-12H,1-4H2,(H2,8,9)
InChIKeySXQAIROHXNYPQM-UHFFFAOYSA-N
XLogP-0.48
TPSA82.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(3-amino-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol (CID 103360679) is 2-[(3-amino-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-amino-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(3-amino-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol is Nc1cc(N(CCO)CCO)sn1.
What is the InChIKey of 2-[(3-amino-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is SXQAIROHXNYPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c8-6-5-7(13-9-6)10(1-3-11)2-4-12/h5,11-12H,1-4H2,(H2,8,9).
What are the key properties of 2-[(3-amino-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(3-amino-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 203.27 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 103360679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).