5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C13H11N3O3S — CID 63852076

IUPAC5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ncc(C#CCCO)s1)c1cncc(O)c1
InChIInChI=1S/C13H11N3O3S/c17-4-2-1-3-11-8-15-13(20-11)16-12(19)9-5-10(18)7-14-6-9/h5-8,17-18H,2,4H2,(H,15,16,19)
InChIKeyWNWRNMDDXYUHBD-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.23
Rot. Bonds3

About 5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 63852076) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID63852076
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ncc(C#CCCO)s1)c1cncc(O)c1
InChIInChI=1S/C13H11N3O3S/c17-4-2-1-3-11-8-15-13(20-11)16-12(19)9-5-10(18)7-14-6-9/h5-8,17-18H,2,4H2,(H,15,16,19)
InChIKeyWNWRNMDDXYUHBD-UHFFFAOYSA-N
XLogP1.23
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 60803344
3-chloro-4-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 60804564
2,5-dihydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]benzamide
CID 107725427
2-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 60805098
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-6-oxopyran-3-carboxamide
CID 60802471
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide
CID 65215906
5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 104639390
5-hydroxy-N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-3-carboxamide
CID 63852247
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 102922451
5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 63724606
2-(dimethylamino)-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]acetamide
CID 114040448
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 60802655

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 63852076) is 5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1ncc(C#CCCO)s1)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is WNWRNMDDXYUHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-4-2-1-3-11-8-15-13(20-11)16-12(19)9-5-10(18)7-14-6-9/h5-8,17-18H,2,4H2,(H,15,16,19).
What are the key properties of 5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 63852076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).