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

C13H10FN3O2S — CID 104639390

IUPAC5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ncc(C#CCCO)s1)c1ccc(F)cn1
InChIInChI=1S/C13H10FN3O2S/c14-9-4-5-11(15-7-9)12(19)17-13-16-8-10(20-13)3-1-2-6-18/h4-5,7-8,18H,2,6H2,(H,16,17,19)
InChIKeyLHJHULSROCWKKE-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.66
Rot. Bonds3

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

5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 104639390) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID104639390
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC Name5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ncc(C#CCCO)s1)c1ccc(F)cn1
InChIInChI=1S/C13H10FN3O2S/c14-9-4-5-11(15-7-9)12(19)17-13-16-8-10(20-13)3-1-2-6-18/h4-5,7-8,18H,2,6H2,(H,16,17,19)
InChIKeyLHJHULSROCWKKE-UHFFFAOYSA-N
XLogP1.66
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-cyano-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 63724606
1-(4-fluorophenyl)-3-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]urea
CID 60813709
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiadiazole-4-carboxamide
CID 65215906
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 60803344
1-(3-fluorophenyl)-3-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]urea
CID 61029014
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
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]-2-methylpyrazole-3-carboxamide
CID 54922908
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-2,3-dimethylbenzamide
CID 60803347
5-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 63852076
2-hydroxy-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 60805098

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 104639390) is 5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1ncc(C#CCCO)s1)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is LHJHULSROCWKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c14-9-4-5-11(15-7-9)12(19)17-13-16-8-10(20-13)3-1-2-6-18/h4-5,7-8,18H,2,6H2,(H,16,17,19).
What are the key properties of 5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide?
5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 104639390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).