1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol

C21H17NO3S2 — CID 69434555

IUPAC1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol
SMILESCC(O)c1ccc(-c2cnc(Oc3ccc(Oc4ccccc4)cc3)s2)s1
InChIInChI=1S/C21H17NO3S2/c1-14(23)18-11-12-19(26-18)20-13-22-21(27-20)25-17-9-7-16(8-10-17)24-15-5-3-2-4-6-15/h2-14,23H,1H3
InChIKeyBADGRVVMFKMDCA-UHFFFAOYSA-N
MW395.51 g/mol
LogP6.51
Rot. Bonds6

About 1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol

1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol (PubChem CID 69434555) has the molecular formula C21H17NO3S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol
PubChem CID69434555
Molecular FormulaC21H17NO3S2
Molecular Weight395.51 g/mol
Exact Mass395.06
IUPAC Name1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol
SMILESCC(O)c1ccc(-c2cnc(Oc3ccc(Oc4ccccc4)cc3)s2)s1
InChIInChI=1S/C21H17NO3S2/c1-14(23)18-11-12-19(26-18)20-13-22-21(27-20)25-17-9-7-16(8-10-17)24-15-5-3-2-4-6-15/h2-14,23H,1H3
InChIKeyBADGRVVMFKMDCA-UHFFFAOYSA-N
XLogP6.51
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol with MolForge

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Related Compounds

1-(4-phenoxyphenyl)ethanol;hydrochloride
CID 67663526
tributyl-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]stannane
CID 69434687
1-(1-hydroxyethylsulfanyl)ethanol;phenoxybenzene
CID 21117107
(1S)-1-(5-methyl-6-phenoxy-3-pyridinyl)ethanol
CID 124501265
1-(5-methyl-6-phenoxy-3-pyridinyl)ethanol
CID 102544608
1-(3-phenoxyphenyl)ethanol
CID 12882419
(1R,2S)-1-amino-3-methyl-1-(4-phenoxyphenyl)butan-2-ol;hydrochloride
CID 171263705
1-(2-methyl-4-phenoxyphenyl)ethanol
CID 82264634
(1R,2R)-1-fluoro-1-(4-phenoxyphenyl)propan-2-ol
CID 122372141
2-(5-phenoxy-2-pyridinyl)propanamide
CID 164734618
2-methyl-5-phenoxy-1,3,4-thiadiazole
CID 58752966
1-(1-chloroethyl)-4-phenoxybenzene
CID 18342950

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol?
The IUPAC name of 1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol (CID 69434555) is 1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol.
What is the SMILES notation for 1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol?
The canonical SMILES for 1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol is CC(O)c1ccc(-c2cnc(Oc3ccc(Oc4ccccc4)cc3)s2)s1.
What is the InChIKey of 1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol?
The InChIKey is BADGRVVMFKMDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3S2/c1-14(23)18-11-12-19(26-18)20-13-22-21(27-20)25-17-9-7-16(8-10-17)24-15-5-3-2-4-6-15/h2-14,23H,1H3.
What are the key properties of 1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol?
1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol has a molecular weight of 395.51 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-phenoxyphenoxy)-1,3-thiazol-5-yl]thiophen-2-yl]ethanol is sourced from PubChem (CID 69434555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).