5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide

C10H14ClN3OS — CID 1246503

IUPAC5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide
SMILESCN1CCN(NC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H14ClN3OS/c1-13-4-6-14(7-5-13)12-10(15)8-2-3-9(11)16-8/h2-3H,4-7H2,1H3,(H,12,15)
InChIKeyVBPYEBASIFYYAD-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.29
Rot. Bonds2

About 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide

5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide (PubChem CID 1246503) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide
PubChem CID1246503
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide
SMILESCN1CCN(NC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C10H14ClN3OS/c1-13-4-6-14(7-5-13)12-10(15)8-2-3-9(11)16-8/h2-3H,4-7H2,1H3,(H,12,15)
InChIKeyVBPYEBASIFYYAD-UHFFFAOYSA-N
XLogP1.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide (CID 1246503) is 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide is CN1CCN(NC(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide?
The InChIKey is VBPYEBASIFYYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-13-4-6-14(7-5-13)12-10(15)8-2-3-9(11)16-8/h2-3H,4-7H2,1H3,(H,12,15).
What are the key properties of 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide?
5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide has a molecular weight of 259.76 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methylpiperazin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1246503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).