2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol

C10H16N2OS — CID 115744732

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1nc(C)c(C)s1
InChIInChI=1S/C10H16N2OS/c1-4-5-12(6-7-13)10-11-8(2)9(3)14-10/h4,13H,1,5-7H2,2-3H3
InChIKeyROEKAWNWJGBZQF-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.74
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol

2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol (PubChem CID 115744732) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol
PubChem CID115744732
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1nc(C)c(C)s1
InChIInChI=1S/C10H16N2OS/c1-4-5-12(6-7-13)10-11-8(2)9(3)14-10/h4,13H,1,5-7H2,2-3H3
InChIKeyROEKAWNWJGBZQF-UHFFFAOYSA-N
XLogP1.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol (CID 115744732) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol is C=CCN(CCO)c1nc(C)c(C)s1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol?
The InChIKey is ROEKAWNWJGBZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-5-12(6-7-13)10-11-8(2)9(3)14-10/h4,13H,1,5-7H2,2-3H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol has a molecular weight of 212.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethanol is sourced from PubChem (CID 115744732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).