N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

C15H17N5O2S — CID 2434569

IUPACN-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1cccs1
InChIInChI=1S/C15H17N5O2S/c21-13(11-18-14(22)12-3-1-10-23-12)19-6-8-20(9-7-19)15-16-4-2-5-17-15/h1-5,10H,6-9,11H2,(H,18,22)
InChIKeyWAZXXDCGZGYRBY-UHFFFAOYSA-N
MW331.40 g/mol
LogP0.62
Rot. Bonds4

About N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 2434569) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID2434569
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1cccs1
InChIInChI=1S/C15H17N5O2S/c21-13(11-18-14(22)12-3-1-10-23-12)19-6-8-20(9-7-19)15-16-4-2-5-17-15/h1-5,10H,6-9,11H2,(H,18,22)
InChIKeyWAZXXDCGZGYRBY-UHFFFAOYSA-N
XLogP0.62
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (CID 2434569) is N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is O=C(NCC(=O)N1CCN(c2ncccn2)CC1)c1cccs1.
What is the InChIKey of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is WAZXXDCGZGYRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c21-13(11-18-14(22)12-3-1-10-23-12)19-6-8-20(9-7-19)15-16-4-2-5-17-15/h1-5,10H,6-9,11H2,(H,18,22).
What are the key properties of N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2434569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).