5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid

C14H14N4O3S — CID 22677757

IUPAC5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C14H14N4O3S/c19-12(10-2-3-11(22-10)13(20)21)17-6-8-18(9-7-17)14-15-4-1-5-16-14/h1-5H,6-9H2,(H,20,21)
InChIKeyBSOWHBVRMJGDPJ-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.20
Rot. Bonds3

About 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid

5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid (PubChem CID 22677757) has the molecular formula C14H14N4O3S and a molecular weight of 318.36 g/mol. Its IUPAC name is 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
PubChem CID22677757
Molecular FormulaC14H14N4O3S
Molecular Weight318.36 g/mol
Exact Mass318.08
IUPAC Name5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)s1
InChIInChI=1S/C14H14N4O3S/c19-12(10-2-3-11(22-10)13(20)21)17-6-8-18(9-7-17)14-15-4-1-5-16-14/h1-5H,6-9H2,(H,20,21)
InChIKeyBSOWHBVRMJGDPJ-UHFFFAOYSA-N
XLogP1.20
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950930
(5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17249502
1-phenyl-3-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]urea
CID 78846884
5-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]thiophene-2-carboxylic acid
CID 43414558
N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 17493933
(4-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 68701618
[5-(4-chlorophenyl)sulfonylthiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53124684
pyridazin-3-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855018
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
(5-chlorothiophen-2-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343810
(3-bromo-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 107517750

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid (CID 22677757) is 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)s1.
What is the InChIKey of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
The InChIKey is BSOWHBVRMJGDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S/c19-12(10-2-3-11(22-10)13(20)21)17-6-8-18(9-7-17)14-15-4-1-5-16-14/h1-5H,6-9H2,(H,20,21).
What are the key properties of 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid?
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid has a molecular weight of 318.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 22677757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).