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

C7H12N2OS — CID 57026365

IUPAC2-[ethyl(1,3-thiazol-2-yl)amino]ethanol
SMILESCCN(CCO)c1nccs1
InChIInChI=1S/C7H12N2OS/c1-2-9(4-5-10)7-8-3-6-11-7/h3,6,10H,2,4-5H2,1H3
InChIKeyIMWATZHUGWHMSM-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.96
Rot. Bonds4

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

2-[ethyl(1,3-thiazol-2-yl)amino]ethanol (PubChem CID 57026365) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-[ethyl(1,3-thiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl(1,3-thiazol-2-yl)amino]ethanol
PubChem CID57026365
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-[ethyl(1,3-thiazol-2-yl)amino]ethanol
SMILESCCN(CCO)c1nccs1
InChIInChI=1S/C7H12N2OS/c1-2-9(4-5-10)7-8-3-6-11-7/h3,6,10H,2,4-5H2,1H3
InChIKeyIMWATZHUGWHMSM-UHFFFAOYSA-N
XLogP0.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1,3-thiazol-2-yl)amino]ethanol?
The IUPAC name of 2-[ethyl(1,3-thiazol-2-yl)amino]ethanol (CID 57026365) is 2-[ethyl(1,3-thiazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[ethyl(1,3-thiazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[ethyl(1,3-thiazol-2-yl)amino]ethanol is CCN(CCO)c1nccs1.
What is the InChIKey of 2-[ethyl(1,3-thiazol-2-yl)amino]ethanol?
The InChIKey is IMWATZHUGWHMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-2-9(4-5-10)7-8-3-6-11-7/h3,6,10H,2,4-5H2,1H3.
What are the key properties of 2-[ethyl(1,3-thiazol-2-yl)amino]ethanol?
2-[ethyl(1,3-thiazol-2-yl)amino]ethanol has a molecular weight of 172.25 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1,3-thiazol-2-yl)amino]ethanol is sourced from PubChem (CID 57026365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).