5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C21H18N4O4S — CID 71656684

IUPAC5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCc3nc(C(=O)NO)sc3C2)cc1)c1ccccc1
InChIInChI=1S/C21H18N4O4S/c26-18(13-4-2-1-3-5-13)22-15-8-6-14(7-9-15)21(28)25-11-10-16-17(12-25)30-20(23-16)19(27)24-29/h1-9,29H,10-12H2,(H,22,26)(H,24,27)
InChIKeyHVJDRWCXVGDFOH-UHFFFAOYSA-N
MW422.47 g/mol
LogP2.71
Rot. Bonds4

About 5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 71656684) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is 5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
PubChem CID71656684
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC Name5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCc3nc(C(=O)NO)sc3C2)cc1)c1ccccc1
InChIInChI=1S/C21H18N4O4S/c26-18(13-4-2-1-3-5-13)22-15-8-6-14(7-9-15)21(28)25-11-10-16-17(12-25)30-20(23-16)19(27)24-29/h1-9,29H,10-12H2,(H,22,26)(H,24,27)
InChIKeyHVJDRWCXVGDFOH-UHFFFAOYSA-N
XLogP2.71
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 17018926
6-benzoyl-N-pyridin-3-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155862386
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,3-diphenylpropanamide
CID 108725786
prop-2-enyl N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
CID 108725715
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108725741
1-[5-(4-phenylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90529859
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-methyl-3,5-dinitrobenzamide
CID 108725692
N-[5-(4-phenylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527432
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 108811389
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-methoxyethoxy)acetamide
CID 108725696
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108725665

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The IUPAC name of 5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 71656684) is 5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCc3nc(C(=O)NO)sc3C2)cc1)c1ccccc1.
What is the InChIKey of 5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
The InChIKey is HVJDRWCXVGDFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c26-18(13-4-2-1-3-5-13)22-15-8-6-14(7-9-15)21(28)25-11-10-16-17(12-25)30-20(23-16)19(27)24-29/h1-9,29H,10-12H2,(H,22,26)(H,24,27).
What are the key properties of 5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?
5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzamidobenzoyl)-N-hydroxy-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 71656684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).