(1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol

C15H17NO2S — CID 11832634

IUPAC(1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol
SMILESC=CC[C@](O)(c1nc(C)cs1)c1ccccc1OC
InChIInChI=1S/C15H17NO2S/c1-4-9-15(17,14-16-11(2)10-19-14)12-7-5-6-8-13(12)18-3/h4-8,10,17H,1,9H2,2-3H3/t15-/m1/s1
InChIKeyAORLTWPZSOSRCA-OAHLLOKOSA-N
MW275.37 g/mol
LogP3.27
Rot. Bonds5

About (1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol

(1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol (PubChem CID 11832634) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is (1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name(1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol
PubChem CID11832634
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name(1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol
SMILESC=CC[C@](O)(c1nc(C)cs1)c1ccccc1OC
InChIInChI=1S/C15H17NO2S/c1-4-9-15(17,14-16-11(2)10-19-14)12-7-5-6-8-13(12)18-3/h4-8,10,17H,1,9H2,2-3H3/t15-/m1/s1
InChIKeyAORLTWPZSOSRCA-OAHLLOKOSA-N
XLogP3.27
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.27
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 (1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol?
The IUPAC name of (1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol (CID 11832634) is (1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol.
What is the SMILES notation for (1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol?
The canonical SMILES for (1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol is C=CC[C@](O)(c1nc(C)cs1)c1ccccc1OC.
What is the InChIKey of (1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol?
The InChIKey is AORLTWPZSOSRCA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-4-9-15(17,14-16-11(2)10-19-14)12-7-5-6-8-13(12)18-3/h4-8,10,17H,1,9H2,2-3H3/t15-/m1/s1.
What are the key properties of (1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol?
(1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol has a molecular weight of 275.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxyphenyl)-1-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-ol is sourced from PubChem (CID 11832634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).