N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

C15H11N3O3S — CID 71537816

IUPACN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(O)cc2O)cs1)c1ccccn1
InChIInChI=1S/C15H11N3O3S/c19-9-4-5-10(13(20)7-9)12-8-22-15(17-12)18-14(21)11-3-1-2-6-16-11/h1-8,19-20H,(H,17,18,21)
InChIKeyXZWAXXDTSPDCOK-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.87
Rot. Bonds3

About N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 71537816) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID71537816
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC NameN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(O)cc2O)cs1)c1ccccn1
InChIInChI=1S/C15H11N3O3S/c19-9-4-5-10(13(20)7-9)12-8-22-15(17-12)18-14(21)11-3-1-2-6-16-11/h1-8,19-20H,(H,17,18,21)
InChIKeyXZWAXXDTSPDCOK-UHFFFAOYSA-N
XLogP2.87
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 53390146
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 17404608
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
4-tert-butyl-N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 71538364
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
N-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 170421258
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2462544
2-(pyridine-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 110471210
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 46603699

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 71537816) is N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1nc(-c2ccc(O)cc2O)cs1)c1ccccn1.
What is the InChIKey of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is XZWAXXDTSPDCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c19-9-4-5-10(13(20)7-9)12-8-22-15(17-12)18-14(21)11-3-1-2-6-16-11/h1-8,19-20H,(H,17,18,21).
What are the key properties of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71537816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).