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

C16H19N5O2S — CID 2431997

IUPAC5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C16H19N5O2S/c1-12-3-4-13(24-12)15(23)19-11-14(22)20-7-9-21(10-8-20)16-17-5-2-6-18-16/h2-6H,7-11H2,1H3,(H,19,23)
InChIKeyUYXMQYCHCJXURV-UHFFFAOYSA-N
MW345.43 g/mol
LogP0.93
Rot. Bonds4

About 5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 2431997) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID2431997
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C16H19N5O2S/c1-12-3-4-13(24-12)15(23)19-11-14(22)20-7-9-21(10-8-20)16-17-5-2-6-18-16/h2-6H,7-11H2,1H3,(H,19,23)
InChIKeyUYXMQYCHCJXURV-UHFFFAOYSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[[(2R)-6-amino-1-[[6-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-6-oxohexyl]amino]-1-oxohexan-2-yl]amino]-6-oxohexyl]-5-(2-aminopyrimidin-4-yl)thiophene-2-carboxamide
CID 46882137
[4-(5-Bromopyrimidin-2-yl)piperazino](2-thienyl)methanone
CID 2802467
5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106826
5-methyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18107039
4-Pyrimidin-2-ylpiperazinyl 2-thienyl ketone
CID 727062
N-hydroxy-5-(pyrimidin-2-yl)thiophene-2-carboxamide
CID 10059360
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
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2434569
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-N-[4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]acetamide
CID 3237672
2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-3-ylcarbonyl)piperazin-1-yl]pyrimidine
CID 3240370
N-ethyl-4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
CID 6504028

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide (CID 2431997) is 5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)s1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is UYXMQYCHCJXURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-12-3-4-13(24-12)15(23)19-11-14(22)20-7-9-21(10-8-20)16-17-5-2-6-18-16/h2-6H,7-11H2,1H3,(H,19,23).
What are the key properties of 5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide?
5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2431997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).