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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Related Compounds

2-[(2-phenyl-1,3-thiazol-4-yl)methyl-prop-2-enylamino]ethanol
CID 115631926
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propylamino]acetic acid
CID 61007401
prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 134055357
2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
CID 111612970
2-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl-prop-2-enylamino]ethanol
CID 111488137
N-ethyl-N-[4-[[2-hydroxyethyl(prop-2-enyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 115631792
2-[prop-2-enyl(1,3-thiazol-4-ylmethyl)amino]ethanol
CID 115633439
2-[(2-chloro-6-fluorophenyl)methyl-prop-2-enylamino]ethanol
CID 115631698
2-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetic acid
CID 60839308
2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethanol
CID 115669656
2-[(2,5-dichlorophenyl)methyl-prop-2-enylamino]ethanol
CID 115647773
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl-prop-2-enylamino]ethanol
CID 115631725

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).