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

C9H16N2O2S — CID 62961011

IUPAC2-[(4-ethyl-1,3-thiazol-2-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCCc1csc(N(CCO)CCO)n1
InChIInChI=1S/C9H16N2O2S/c1-2-8-7-14-9(10-8)11(3-5-12)4-6-13/h7,12-13H,2-6H2,1H3
InChIKeyGDGJTUGKRTUXPI-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.50
Rot. Bonds6

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

2-[(4-ethyl-1,3-thiazol-2-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 62961011) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-[(4-ethyl-1,3-thiazol-2-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-ethyl-1,3-thiazol-2-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID62961011
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name2-[(4-ethyl-1,3-thiazol-2-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCCc1csc(N(CCO)CCO)n1
InChIInChI=1S/C9H16N2O2S/c1-2-8-7-14-9(10-8)11(3-5-12)4-6-13/h7,12-13H,2-6H2,1H3
InChIKeyGDGJTUGKRTUXPI-UHFFFAOYSA-N
XLogP0.50
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 1490753
CID 1490753
CID 12787020
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CID 115645122
CID 115645122
CID 71859755
CID 71859755
CID 70955041
CID 70955041
CID 88585181
CID 88585181
CID 64543594
CID 64543594
CID 64544604
CID 64544604
CID 64544605
CID 64544605
CID 64544805
CID 64544805
CID 64544807
CID 64544807
CID 64545424
CID 64545424

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-1,3-thiazol-2-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(4-ethyl-1,3-thiazol-2-yl)-(2-hydroxyethyl)amino]ethanol (CID 62961011) is 2-[(4-ethyl-1,3-thiazol-2-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-ethyl-1,3-thiazol-2-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(4-ethyl-1,3-thiazol-2-yl)-(2-hydroxyethyl)amino]ethanol is CCc1csc(N(CCO)CCO)n1.
What is the InChIKey of 2-[(4-ethyl-1,3-thiazol-2-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is GDGJTUGKRTUXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-2-8-7-14-9(10-8)11(3-5-12)4-6-13/h7,12-13H,2-6H2,1H3.
What are the key properties of 2-[(4-ethyl-1,3-thiazol-2-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(4-ethyl-1,3-thiazol-2-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 216.31 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-1,3-thiazol-2-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 62961011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).