2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol

C15H17ClN2OS — CID 115633493

IUPAC2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H17ClN2OS/c1-2-7-18(8-9-19)10-12-11-20-15(17-12)13-5-3-4-6-14(13)16/h2-6,11,19H,1,7-10H2
InChIKeyFOQKEXNLVPBSBY-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.44
Rot. Bonds7

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

2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol (PubChem CID 115633493) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
PubChem CID115633493
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H17ClN2OS/c1-2-7-18(8-9-19)10-12-11-20-15(17-12)13-5-3-4-6-14(13)16/h2-6,11,19H,1,7-10H2
InChIKeyFOQKEXNLVPBSBY-UHFFFAOYSA-N
XLogP3.44
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.44
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-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol?
The IUPAC name of 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol (CID 115633493) is 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol is C=CCN(CCO)Cc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol?
The InChIKey is FOQKEXNLVPBSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-2-7-18(8-9-19)10-12-11-20-15(17-12)13-5-3-4-6-14(13)16/h2-6,11,19H,1,7-10H2.
What are the key properties of 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol?
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol has a molecular weight of 308.83 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol is sourced from PubChem (CID 115633493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).