3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide

C26H18N2O3S — CID 25072940

IUPAC3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1
InChIInChI=1S/C26H18N2O3S/c29-21-6-2-3-16(15-21)17-7-9-22-18(13-17)8-10-23(30)24(22)19-4-1-5-20(14-19)25(31)28-26-27-11-12-32-26/h1-15,29-30H,(H,27,28,31)
InChIKeyAOYDOUACISEVQY-UHFFFAOYSA-N
MW438.51 g/mol
LogP6.29
Rot. Bonds4

About 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide

3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 25072940) has the molecular formula C26H18N2O3S and a molecular weight of 438.51 g/mol. Its IUPAC name is 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID25072940
Molecular FormulaC26H18N2O3S
Molecular Weight438.51 g/mol
Exact Mass438.10
IUPAC Name3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1
InChIInChI=1S/C26H18N2O3S/c29-21-6-2-3-16(15-21)17-7-9-22-18(13-17)8-10-23(30)24(22)19-4-1-5-20(14-19)25(31)28-26-27-11-12-32-26/h1-15,29-30H,(H,27,28,31)
InChIKeyAOYDOUACISEVQY-UHFFFAOYSA-N
XLogP6.29
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 56.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 59443442
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
3-[(4-phenylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361308
6-(3-hydroxyphenyl)-1-[4-(methylamino)phenyl]naphthalen-2-ol
CID 145481416
6-(3-hydroxyphenyl)-1-pyridin-3-ylnaphthalen-2-ol
CID 24970356
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
3-(dimethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 4030304
N-(1,3-thiazol-2-yl)isoquinoline-6-carboxamide
CID 110485084
1-(7-hydroxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)urea
CID 5330590
N-(1,3-thiazol-2-yl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110131633
4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide
CID 86046995
3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 27262078

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide (CID 25072940) is 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1.
What is the InChIKey of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is AOYDOUACISEVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O3S/c29-21-6-2-3-16(15-21)17-7-9-22-18(13-17)8-10-23(30)24(22)19-4-1-5-20(14-19)25(31)28-26-27-11-12-32-26/h1-15,29-30H,(H,27,28,31).
What are the key properties of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide?
3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 438.51 g/mol, XLogP of 6.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 25072940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).