(1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol

C12H13ClN2O2S — CID 164630511

IUPAC(1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol
SMILESCOc1ccc(Cl)cc1[C@@H](O)CNc1nccs1
InChIInChI=1S/C12H13ClN2O2S/c1-17-11-3-2-8(13)6-9(11)10(16)7-15-12-14-4-5-18-12/h2-6,10,16H,7H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyFOCJPQCLHHCADR-JTQLQIEISA-N
MW284.77 g/mol
LogP2.95
Rot. Bonds5

About (1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol

(1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol (PubChem CID 164630511) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is (1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol.

Molecular Properties

Compound Name(1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol
PubChem CID164630511
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name(1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol
SMILESCOc1ccc(Cl)cc1[C@@H](O)CNc1nccs1
InChIInChI=1S/C12H13ClN2O2S/c1-17-11-3-2-8(13)6-9(11)10(16)7-15-12-14-4-5-18-12/h2-6,10,16H,7H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyFOCJPQCLHHCADR-JTQLQIEISA-N
XLogP2.95
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol?
The IUPAC name of (1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol (CID 164630511) is (1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol.
What is the SMILES notation for (1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol?
The canonical SMILES for (1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol is COc1ccc(Cl)cc1[C@@H](O)CNc1nccs1.
What is the InChIKey of (1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol?
The InChIKey is FOCJPQCLHHCADR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c1-17-11-3-2-8(13)6-9(11)10(16)7-15-12-14-4-5-18-12/h2-6,10,16H,7H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol?
(1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol has a molecular weight of 284.77 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-chloro-2-methoxyphenyl)-2-(1,3-thiazol-2-ylamino)ethanol is sourced from PubChem (CID 164630511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).