5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide

C15H15N3O2S — CID 62842092

IUPAC5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc(C#CCCO)s2)cn1
InChIInChI=1S/C15H15N3O2S/c1-11-8-17-12(9-16-11)10-18-15(20)14-6-5-13(21-14)4-2-3-7-19/h5-6,8-9,19H,3,7,10H2,1H3,(H,18,20)
InChIKeyVNEBMCGWRLISJJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.51
Rot. Bonds4

About 5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide

5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 62842092) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
PubChem CID62842092
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc(C#CCCO)s2)cn1
InChIInChI=1S/C15H15N3O2S/c1-11-8-17-12(9-16-11)10-18-15(20)14-6-5-13(21-14)4-2-3-7-19/h5-6,8-9,19H,3,7,10H2,1H3,(H,18,20)
InChIKeyVNEBMCGWRLISJJ-UHFFFAOYSA-N
XLogP1.51
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide (CID 62842092) is 5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide is Cc1cnc(CNC(=O)c2ccc(C#CCCO)s2)cn1.
What is the InChIKey of 5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is VNEBMCGWRLISJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11-8-17-12(9-16-11)10-18-15(20)14-6-5-13(21-14)4-2-3-7-19/h5-6,8-9,19H,3,7,10H2,1H3,(H,18,20).
What are the key properties of 5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide?
5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybut-1-ynyl)-N-[(5-methylpyrazin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 62842092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).