1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol

C15H19NO3S2 — CID 75858434

IUPAC1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
SMILESCCOc1ccc(OCC(O)CSc2nc(C)cs2)cc1
InChIInChI=1S/C15H19NO3S2/c1-3-18-13-4-6-14(7-5-13)19-8-12(17)10-21-15-16-11(2)9-20-15/h4-7,9,12,17H,3,8,10H2,1-2H3
InChIKeyDSVGZYOHNVWPDB-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.38
Rot. Bonds8

About 1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol

1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 75858434) has the molecular formula C15H19NO3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID75858434
Molecular FormulaC15H19NO3S2
Molecular Weight325.46 g/mol
Exact Mass325.08
IUPAC Name1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
SMILESCCOc1ccc(OCC(O)CSc2nc(C)cs2)cc1
InChIInChI=1S/C15H19NO3S2/c1-3-18-13-4-6-14(7-5-13)19-8-12(17)10-21-15-16-11(2)9-20-15/h4-7,9,12,17H,3,8,10H2,1-2H3
InChIKeyDSVGZYOHNVWPDB-UHFFFAOYSA-N
XLogP3.38
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol with MolForge

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Related Compounds

4-(Chloromethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 28354796
4-Methyl-2-phenoxy-1,3-thiazole
CID 12787013
2-[[4-[2-[4-(4-Fluorophenoxy)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]-2-methylpropanoic acid
CID 59758817
2-Methyl-2-[[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoic acid
CID 59759303
[2-[4-(Trifluoromethoxy)phenoxy]-1,3-thiazol-4-yl]methanol
CID 117822180
1-(4-Fluorophenoxy)-3-(1,3-thiazol-4-yl)propan-2-ol
CID 142639747
Butane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole
CID 176565340
2-Methyl-4-[(4-phenoxyphenoxy)methyl]-1,3-thiazole
CID 15924336
2-[(4-Methoxyphenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 2745959
2-[3-(4-Fluorophenoxy)propylsulfanyl]-4-methyl-1,3-thiazole
CID 47096424
2-[2-(3-Fluorophenoxy)ethylsulfanyl]-4-methyl-1,3-thiazole
CID 47181366
(2R)-1-(4-fluorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 52489516

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol (CID 75858434) is 1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol is CCOc1ccc(OCC(O)CSc2nc(C)cs2)cc1.
What is the InChIKey of 1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is DSVGZYOHNVWPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-3-18-13-4-6-14(7-5-13)19-8-12(17)10-21-15-16-11(2)9-20-15/h4-7,9,12,17H,3,8,10H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol?
1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 325.46 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 75858434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).