3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide

C20H15N3O3S — CID 139337427

IUPAC3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccc(C(O)c3ccccc3)cc2s1)c1ncccc1O
InChIInChI=1S/C20H15N3O3S/c24-15-7-4-10-21-17(15)19(26)23-20-22-14-9-8-13(11-16(14)27-20)18(25)12-5-2-1-3-6-12/h1-11,18,24-25H,(H,22,23,26)
InChIKeyFYLZQHQEDVCSAG-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.73
Rot. Bonds4

About 3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide

3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide (PubChem CID 139337427) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
PubChem CID139337427
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccc(C(O)c3ccccc3)cc2s1)c1ncccc1O
InChIInChI=1S/C20H15N3O3S/c24-15-7-4-10-21-17(15)19(26)23-20-22-14-9-8-13(11-16(14)27-20)18(25)12-5-2-1-3-6-12/h1-11,18,24-25H,(H,22,23,26)
InChIKeyFYLZQHQEDVCSAG-UHFFFAOYSA-N
XLogP3.73
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-[(3-hydroxypyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
CID 139337507
N-[6-[(dicyanomethylideneamino)methyl]-1,3-benzothiazol-2-yl]-3-hydroxypyridine-2-carboxamide
CID 167710165
3-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 104740830
3-hydroxy-5-[2-[(3-hydroxypyridine-2-carbonyl)amino]-4-methyl-1,3-benzothiazol-6-yl]-N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 139337463
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 164625974
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 4162371
N-(6-cyano-1,3-benzothiazol-2-yl)benzamide
CID 25259294
3,3-diphenyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 43989546
3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235422
N-[6-[2-(difluoromethoxy)phenoxy]-1,3-benzothiazol-2-yl]-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 156811591
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
CID 118657880

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide (CID 139337427) is 3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1nc2ccc(C(O)c3ccccc3)cc2s1)c1ncccc1O.
What is the InChIKey of 3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is FYLZQHQEDVCSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c24-15-7-4-10-21-17(15)19(26)23-20-22-14-9-8-13(11-16(14)27-20)18(25)12-5-2-1-3-6-12/h1-11,18,24-25H,(H,22,23,26).
What are the key properties of 3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide?
3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[6-[hydroxy(phenyl)methyl]-1,3-benzothiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 139337427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).