5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid

C10H14N2O2S — CID 4739093

IUPAC5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid
SMILESCN1CCN(c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C10H14N2O2S/c1-11-4-6-12(7-5-11)9-3-2-8(15-9)10(13)14/h2-3H,4-7H2,1H3,(H,13,14)
InChIKeySQFPEVWPSMPQOE-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.20
Rot. Bonds2

About 5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid

5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid (PubChem CID 4739093) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid
PubChem CID4739093
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid
SMILESCN1CCN(c2ccc(C(=O)O)s2)CC1
InChIInChI=1S/C10H14N2O2S/c1-11-4-6-12(7-5-11)9-3-2-8(15-9)10(13)14/h2-3H,4-7H2,1H3,(H,13,14)
InChIKeySQFPEVWPSMPQOE-UHFFFAOYSA-N
XLogP1.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid (CID 4739093) is 5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid is CN1CCN(c2ccc(C(=O)O)s2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid?
The InChIKey is SQFPEVWPSMPQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-11-4-6-12(7-5-11)9-3-2-8(15-9)10(13)14/h2-3H,4-7H2,1H3,(H,13,14).
What are the key properties of 5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid?
5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 4739093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).