N'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide

C12H20N4S — CID 11311318

IUPACN'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide
SMILESCN1CCN(CC/N=C(\N)c2cccs2)CC1
InChIInChI=1S/C12H20N4S/c1-15-6-8-16(9-7-15)5-4-14-12(13)11-3-2-10-17-11/h2-3,10H,4-9H2,1H3,(H2,13,14)
InChIKeyIDMNXYWHVXAGQX-UHFFFAOYSA-N
MW252.39 g/mol
LogP0.70
Rot. Bonds4

About N'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide

N'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide (PubChem CID 11311318) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide
PubChem CID11311318
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide
SMILESCN1CCN(CC/N=C(\N)c2cccs2)CC1
InChIInChI=1S/C12H20N4S/c1-15-6-8-16(9-7-15)5-4-14-12(13)11-3-2-10-17-11/h2-3,10H,4-9H2,1H3,(H2,13,14)
InChIKeyIDMNXYWHVXAGQX-UHFFFAOYSA-N
XLogP0.70
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide (CID 11311318) is N'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide is CN1CCN(CC/N=C(\N)c2cccs2)CC1.
What is the InChIKey of N'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide?
The InChIKey is IDMNXYWHVXAGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-15-6-8-16(9-7-15)5-4-14-12(13)11-3-2-10-17-11/h2-3,10H,4-9H2,1H3,(H2,13,14).
What are the key properties of N'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide?
N'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide has a molecular weight of 252.39 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboximidamide is sourced from PubChem (CID 11311318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).