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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Related Compounds

N-[2-(3-pyridinyl)-4-pyrimidinyl]-2-thiophenecarboxamide
CID 1477562
[4-(5-Bromopyrimidin-2-yl)piperazino](2-thienyl)methanone
CID 2802467
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18107042
N-methyl-4-{[4-(2-pyridinyl)-1-piperazinyl]sulfonyl}-2-thiophenecarboxamide
CID 6503958
4-Pyrimidin-2-ylpiperazinyl 2-thienyl ketone
CID 727062
N-hydroxy-5-(pyrimidin-2-yl)thiophene-2-carboxamide
CID 10059360
8-methyl-2-(methylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328644
3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (thiophen-2-ylmethyl)-amide
CID 653187
2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-ylcarbonyl)-1-piperazinyl]pyrimidine
CID 1244298
2-{4-[(5-Methyl-3-thienyl)carbonyl]-1-piperazinyl}pyrimidine
CID 1246450
5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2431997
2-Piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233205

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).