N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide

C20H13BrN2O2S — CID 23822903

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc2ccccc2c1O
InChIInChI=1S/C20H13BrN2O2S/c21-14-8-5-13(6-9-14)17-11-26-20(22-17)23-19(25)16-10-7-12-3-1-2-4-15(12)18(16)24/h1-11,24H,(H,22,23,25)
InChIKeyYGTQSVYAUFWZKU-UHFFFAOYSA-N
MW425.31 g/mol
LogP5.68
Rot. Bonds3

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide (PubChem CID 23822903) has the molecular formula C20H13BrN2O2S and a molecular weight of 425.31 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide
PubChem CID23822903
Molecular FormulaC20H13BrN2O2S
Molecular Weight425.31 g/mol
Exact Mass423.99
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc2ccccc2c1O
InChIInChI=1S/C20H13BrN2O2S/c21-14-8-5-13(6-9-14)17-11-26-20(22-17)23-19(25)16-10-7-12-3-1-2-4-15(12)18(16)24/h1-11,24H,(H,22,23,25)
InChIKeyYGTQSVYAUFWZKU-UHFFFAOYSA-N
XLogP5.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.31
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 108798618
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 26249519
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 26687571
3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 23854360
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4111073
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849308
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5066416
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)quinoline-4-carboxamide
CID 5151402
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 26693919

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide (CID 23822903) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide is O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc2ccccc2c1O.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide?
The InChIKey is YGTQSVYAUFWZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2O2S/c21-14-8-5-13(6-9-14)17-11-26-20(22-17)23-19(25)16-10-7-12-3-1-2-4-15(12)18(16)24/h1-11,24H,(H,22,23,25).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide has a molecular weight of 425.31 g/mol, XLogP of 5.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 23822903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).