5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide

C14H12N2O2S — CID 61076351

IUPAC5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C#CCO)s2)nc1
InChIInChI=1S/C14H12N2O2S/c1-10-4-7-13(15-9-10)16-14(18)12-6-5-11(19-12)3-2-8-17/h4-7,9,17H,8H2,1H3,(H,15,16,18)
InChIKeyUQYMGYIPFZHYCH-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.05
Rot. Bonds2

About 5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide

5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 61076351) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
PubChem CID61076351
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C#CCO)s2)nc1
InChIInChI=1S/C14H12N2O2S/c1-10-4-7-13(15-9-10)16-14(18)12-6-5-11(19-12)3-2-8-17/h4-7,9,17H,8H2,1H3,(H,15,16,18)
InChIKeyUQYMGYIPFZHYCH-UHFFFAOYSA-N
XLogP2.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.05
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-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)thiophene-2-carboxamide
CID 114913751
5-(3-hydroxyprop-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
CID 62842091
5-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 61075453
5-(3-hydroxyprop-1-ynyl)-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 61075106
N-(4-chloro-2-methylphenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61076895
5-(benzenesulfonyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 53124355
4-ethyl-5-methyl-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 35023006
N-(2,2-dimethylpropyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61167472
N-[2-(dimethylamino)phenyl]-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 106760628
N-(5-cyano-2-methylphenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 62105815
5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47265799
N-(1,3-benzothiazol-2-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide
CID 61075092

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide (CID 61076351) is 5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide is Cc1ccc(NC(=O)c2ccc(C#CCO)s2)nc1.
What is the InChIKey of 5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is UQYMGYIPFZHYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-10-4-7-13(15-9-10)16-14(18)12-6-5-11(19-12)3-2-8-17/h4-7,9,17H,8H2,1H3,(H,15,16,18).
What are the key properties of 5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide?
5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyprop-1-ynyl)-N-(5-methyl-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 61076351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).