5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide

C17H19N3O2S — CID 143413657

IUPAC5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(N2CCNCC2)ccc1NC(=O)c1ccc(C=O)s1
InChIInChI=1S/C17H19N3O2S/c1-12-10-13(20-8-6-18-7-9-20)2-4-15(12)19-17(22)16-5-3-14(11-21)23-16/h2-5,10-11,18H,6-9H2,1H3,(H,19,22)
InChIKeyCOOUQUBHJCHWJL-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.53
Rot. Bonds4

About 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide

5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide (PubChem CID 143413657) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide
PubChem CID143413657
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide
SMILESCc1cc(N2CCNCC2)ccc1NC(=O)c1ccc(C=O)s1
InChIInChI=1S/C17H19N3O2S/c1-12-10-13(20-8-6-18-7-9-20)2-4-15(12)19-17(22)16-5-3-14(11-21)23-16/h2-5,10-11,18H,6-9H2,1H3,(H,19,22)
InChIKeyCOOUQUBHJCHWJL-UHFFFAOYSA-N
XLogP2.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide (CID 143413657) is 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide is Cc1cc(N2CCNCC2)ccc1NC(=O)c1ccc(C=O)s1.
What is the InChIKey of 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide?
The InChIKey is COOUQUBHJCHWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-10-13(20-8-6-18-7-9-20)2-4-15(12)19-17(22)16-5-3-14(11-21)23-16/h2-5,10-11,18H,6-9H2,1H3,(H,19,22).
What are the key properties of 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide?
5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-(2-methyl-4-piperazin-1-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 143413657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).