2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol

C9H14N2OS — CID 115633439

IUPAC2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol
SMILESC=CCN(CCO)Cc1cscn1
InChIInChI=1S/C9H14N2OS/c1-2-3-11(4-5-12)6-9-7-13-8-10-9/h2,7-8,12H,1,3-6H2
InChIKeyRDWPHMAERFMTFK-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.12
Rot. Bonds6

About 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol

2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol (PubChem CID 115633439) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol
PubChem CID115633439
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol
SMILESC=CCN(CCO)Cc1cscn1
InChIInChI=1S/C9H14N2OS/c1-2-3-11(4-5-12)6-9-7-13-8-10-9/h2,7-8,12H,1,3-6H2
InChIKeyRDWPHMAERFMTFK-UHFFFAOYSA-N
XLogP1.12
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.12
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-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol?
The IUPAC name of 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol (CID 115633439) is 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol is C=CCN(CCO)Cc1cscn1.
What is the InChIKey of 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol?
The InChIKey is RDWPHMAERFMTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-3-11(4-5-12)6-9-7-13-8-10-9/h2,7-8,12H,1,3-6H2.
What are the key properties of 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol?
2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol has a molecular weight of 198.29 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol is sourced from PubChem (CID 115633439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).