5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide

C11H9N3O2S — CID 79696851

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1csc(C#CCO)c1
InChIInChI=1S/C11H9N3O2S/c15-5-1-2-9-6-8(7-17-9)10(16)14-11-12-3-4-13-11/h3-4,6-7,15H,5H2,(H2,12,13,14,16)
InChIKeyUEJOTFRMAODAFZ-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.07
Rot. Bonds2

About 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide (PubChem CID 79696851) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide
PubChem CID79696851
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1csc(C#CCO)c1
InChIInChI=1S/C11H9N3O2S/c15-5-1-2-9-6-8(7-17-9)10(16)14-11-12-3-4-13-11/h3-4,6-7,15H,5H2,(H2,12,13,14,16)
InChIKeyUEJOTFRMAODAFZ-UHFFFAOYSA-N
XLogP1.07
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)pyridine-3-carboxamide
CID 63564141
5-(3-hydroxyprop-1-ynyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-carboxamide
CID 116787572
5-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylthiophene-3-carboxamide
CID 107589617
N-(4-fluorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696600
N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79693097
N-(5-chloro-2-pyridinyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696754
5-(3-hydroxyprop-1-ynyl)-N-(2,4,6-trimethylphenyl)thiophene-3-carboxamide
CID 79692226
N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79695922
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 114389024
5-(3-hydroxyprop-1-ynyl)-N-(2,3,4-trifluorophenyl)thiophene-3-carboxamide
CID 79692399
5-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-2-carboxamide
CID 55213945
N-(2,4-difluorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696601

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide (CID 79696851) is 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide is O=C(Nc1ncc[nH]1)c1csc(C#CCO)c1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide?
The InChIKey is UEJOTFRMAODAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c15-5-1-2-9-6-8(7-17-9)10(16)14-11-12-3-4-13-11/h3-4,6-7,15H,5H2,(H2,12,13,14,16).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide has a molecular weight of 247.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 79696851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).