(1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

C22H23NO3S — CID 41320125

IUPAC(1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCOc1ccc(-c2nc(COc3cccc4c3CCC[C@@H]4O)cs2)cc1
InChIInChI=1S/C22H23NO3S/c1-2-25-17-11-9-15(10-12-17)22-23-16(14-27-22)13-26-21-8-4-5-18-19(21)6-3-7-20(18)24/h4-5,8-12,14,20,24H,2-3,6-7,13H2,1H3/t20-/m0/s1
InChIKeyHYXDBHOMJRCALJ-FQEVSTJZSA-N
MW381.50 g/mol
LogP5.16
Rot. Bonds6

About (1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

(1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 41320125) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is (1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID41320125
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC Name(1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCOc1ccc(-c2nc(COc3cccc4c3CCC[C@@H]4O)cs2)cc1
InChIInChI=1S/C22H23NO3S/c1-2-25-17-11-9-15(10-12-17)22-23-16(14-27-22)13-26-21-8-4-5-18-19(21)6-3-7-20(18)24/h4-5,8-12,14,20,24H,2-3,6-7,13H2,1H3/t20-/m0/s1
InChIKeyHYXDBHOMJRCALJ-FQEVSTJZSA-N
XLogP5.16
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol with MolForge

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Related Compounds

4-[(2-propyl-1,3-thiazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63090516
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60746651
5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65454842
5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60627582
cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium
CID 8933405
(1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 94178772
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxymethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 42956289
5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60711761
5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 106929819
5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115582286
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888129
5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65456544

Frequently Asked Questions

What is the IUPAC name of (1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 41320125) is (1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is CCOc1ccc(-c2nc(COc3cccc4c3CCC[C@@H]4O)cs2)cc1.
What is the InChIKey of (1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is HYXDBHOMJRCALJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-2-25-17-11-9-15(10-12-17)22-23-16(14-27-22)13-26-21-8-4-5-18-19(21)6-3-7-20(18)24/h4-5,8-12,14,20,24H,2-3,6-7,13H2,1H3/t20-/m0/s1.
What are the key properties of (1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 381.50 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 41320125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).