5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide

C14H11FN2O2S — CID 60815649

IUPAC5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(F)ccc1C#CCCO
InChIInChI=1S/C14H11FN2O2S/c15-11-5-4-10(3-1-2-7-18)12(9-11)13(19)17-14-16-6-8-20-14/h4-6,8-9,18H,2,7H2,(H,16,17,19)
InChIKeyJBFBXQLBCJIEMQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.27
Rot. Bonds3

About 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide

5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 60815649) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide
PubChem CID60815649
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nccs1)c1cc(F)ccc1C#CCCO
InChIInChI=1S/C14H11FN2O2S/c15-11-5-4-10(3-1-2-7-18)12(9-11)13(19)17-14-16-6-8-20-14/h4-6,8-9,18H,2,7H2,(H,16,17,19)
InChIKeyJBFBXQLBCJIEMQ-UHFFFAOYSA-N
XLogP2.27
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817200
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide
CID 114913730
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 60815511
N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 60816589
4-fluoro-2-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 2859566
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide
CID 54921719
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114913838
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(5-oxopyrrolidin-3-yl)benzamide
CID 106197488
2,5-difluoro-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 107121654
N-(3,5-difluorophenyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63796739
N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 60816584
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 60817208

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide (CID 60815649) is 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide is O=C(Nc1nccs1)c1cc(F)ccc1C#CCCO.
What is the InChIKey of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is JBFBXQLBCJIEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c15-11-5-4-10(3-1-2-7-18)12(9-11)13(19)17-14-16-6-8-20-14/h4-6,8-9,18H,2,7H2,(H,16,17,19).
What are the key properties of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide?
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 290.32 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 60815649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).