4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide

C16H19N5O2S — CID 174425024

IUPAC4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide
SMILESNC(=O)c1sc(-c2ccccc2N2CCNCC2)c(N)c1C(N)=O
InChIInChI=1S/C16H19N5O2S/c17-12-11(15(18)22)14(16(19)23)24-13(12)9-3-1-2-4-10(9)21-7-5-20-6-8-21/h1-4,20H,5-8,17H2,(H2,18,22)(H2,19,23)
InChIKeyVFBHEQFUICEPBY-UHFFFAOYSA-N
MW345.43 g/mol
LogP0.60
Rot. Bonds4

About 4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide

4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide (PubChem CID 174425024) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide
PubChem CID174425024
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide
SMILESNC(=O)c1sc(-c2ccccc2N2CCNCC2)c(N)c1C(N)=O
InChIInChI=1S/C16H19N5O2S/c17-12-11(15(18)22)14(16(19)23)24-13(12)9-3-1-2-4-10(9)21-7-5-20-6-8-21/h1-4,20H,5-8,17H2,(H2,18,22)(H2,19,23)
InChIKeyVFBHEQFUICEPBY-UHFFFAOYSA-N
XLogP0.60
TPSA127.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide?
The IUPAC name of 4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide (CID 174425024) is 4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide.
What is the SMILES notation for 4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide?
The canonical SMILES for 4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide is NC(=O)c1sc(-c2ccccc2N2CCNCC2)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide?
The InChIKey is VFBHEQFUICEPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c17-12-11(15(18)22)14(16(19)23)24-13(12)9-3-1-2-4-10(9)21-7-5-20-6-8-21/h1-4,20H,5-8,17H2,(H2,18,22)(H2,19,23).
What are the key properties of 4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide?
4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide has a molecular weight of 345.43 g/mol, XLogP of 0.60, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-piperazin-1-ylphenyl)thiophene-2,3-dicarboxamide is sourced from PubChem (CID 174425024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).