3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C27H20N2O3S — CID 59443442

IUPAC3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2cccc(-c3c(O)ccc4cc(-c5cccc(O)c5)ccc34)c2)s1
InChIInChI=1S/C27H20N2O3S/c1-16-15-28-27(33-16)29-26(32)21-6-2-5-20(13-21)25-23-10-8-18(12-19(23)9-11-24(25)31)17-4-3-7-22(30)14-17/h2-15,30-31H,1H3,(H,28,29,32)
InChIKeyKMUQOLDSSIRKFG-UHFFFAOYSA-N
MW452.54 g/mol
LogP6.60
Rot. Bonds4

About 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide

3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 59443442) has the molecular formula C27H20N2O3S and a molecular weight of 452.54 g/mol. Its IUPAC name is 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID59443442
Molecular FormulaC27H20N2O3S
Molecular Weight452.54 g/mol
Exact Mass452.12
IUPAC Name3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2cccc(-c3c(O)ccc4cc(-c5cccc(O)c5)ccc34)c2)s1
InChIInChI=1S/C27H20N2O3S/c1-16-15-28-27(33-16)29-26(32)21-6-2-5-20(13-21)25-23-10-8-18(12-19(23)9-11-24(25)31)17-4-3-7-22(30)14-17/h2-15,30-31H,1H3,(H,28,29,32)
InChIKeyKMUQOLDSSIRKFG-UHFFFAOYSA-N
XLogP6.60
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.54
LogP ≤ 56.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(1,3-thiazol-2-yl)benzamide
CID 25072940
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2116508
6-(3-hydroxyphenyl)-1-pyridin-3-ylnaphthalen-2-ol
CID 24970356
N-(5-bromo-1,3-thiazol-2-yl)-3-hydroxybenzamide
CID 60654759
3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2122297
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
2-benzamido-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 35935216
2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid
CID 89199451
3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide
CID 141135963
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63212388
5-chloro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]thiophene-2-sulfonamide
CID 25073246

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 59443442) is 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc(NC(=O)c2cccc(-c3c(O)ccc4cc(-c5cccc(O)c5)ccc34)c2)s1.
What is the InChIKey of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is KMUQOLDSSIRKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O3S/c1-16-15-28-27(33-16)29-26(32)21-6-2-5-20(13-21)25-23-10-8-18(12-19(23)9-11-24(25)31)17-4-3-7-22(30)14-17/h2-15,30-31H,1H3,(H,28,29,32).
What are the key properties of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 452.54 g/mol, XLogP of 6.60, 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-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 59443442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).