2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid

C21H19NO3S — CID 20983524

IUPAC2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1nc(-c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C21H19NO3S/c23-21(24)17-7-3-4-8-19(17)25-12-20-22-18(13-26-20)16-10-9-14-5-1-2-6-15(14)11-16/h3-4,7-11,13H,1-2,5-6,12H2,(H,23,24)
InChIKeyKYKGYXVNKSBKDK-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.97
Rot. Bonds5

About 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid

2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid (PubChem CID 20983524) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid.

Molecular Properties

Compound Name2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid
PubChem CID20983524
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1nc(-c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C21H19NO3S/c23-21(24)17-7-3-4-8-19(17)25-12-20-22-18(13-26-20)16-10-9-14-5-1-2-6-15(14)11-16/h3-4,7-11,13H,1-2,5-6,12H2,(H,23,24)
InChIKeyKYKGYXVNKSBKDK-UHFFFAOYSA-N
XLogP4.97
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid with MolForge

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Related Compounds

2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 20983529
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 9174069
[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol
CID 71998381
phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
CID 19227173
4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 19228141
2-fluoro-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4089252
2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole
CID 2747349
2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 43310246
2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5074710
[2-[(4-chlorophenyl)methoxy]phenyl]-[5-[2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
CID 122177129
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 8910755
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid?
The IUPAC name of 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid (CID 20983524) is 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid.
What is the SMILES notation for 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid?
The canonical SMILES for 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid is O=C(O)c1ccccc1OCc1nc(-c2ccc3c(c2)CCCC3)cs1.
What is the InChIKey of 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid?
The InChIKey is KYKGYXVNKSBKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c23-21(24)17-7-3-4-8-19(17)25-12-20-22-18(13-26-20)16-10-9-14-5-1-2-6-15(14)11-16/h3-4,7-11,13H,1-2,5-6,12H2,(H,23,24).
What are the key properties of 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid?
2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid has a molecular weight of 365.45 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid is sourced from PubChem (CID 20983524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).