[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine

C13H18N4S2 — CID 82514920

IUPAC[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine
SMILESCN1CCN(c2nc(C(N)c3cccs3)cs2)CC1
InChIInChI=1S/C13H18N4S2/c1-16-4-6-17(7-5-16)13-15-10(9-19-13)12(14)11-3-2-8-18-11/h2-3,8-9,12H,4-7,14H2,1H3
InChIKeyFWNBRFVSAMOKFK-UHFFFAOYSA-N
MW294.45 g/mol
LogP2.00
Rot. Bonds3

About [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine

[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine (PubChem CID 82514920) has the molecular formula C13H18N4S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine
PubChem CID82514920
Molecular FormulaC13H18N4S2
Molecular Weight294.45 g/mol
Exact Mass294.10
IUPAC Name[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine
SMILESCN1CCN(c2nc(C(N)c3cccs3)cs2)CC1
InChIInChI=1S/C13H18N4S2/c1-16-4-6-17(7-5-16)13-15-10(9-19-13)12(14)11-3-2-8-18-11/h2-3,8-9,12H,4-7,14H2,1H3
InChIKeyFWNBRFVSAMOKFK-UHFFFAOYSA-N
XLogP2.00
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine?
The IUPAC name of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine (CID 82514920) is [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine.
What is the SMILES notation for [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine?
The canonical SMILES for [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine is CN1CCN(c2nc(C(N)c3cccs3)cs2)CC1.
What is the InChIKey of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine?
The InChIKey is FWNBRFVSAMOKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S2/c1-16-4-6-17(7-5-16)13-15-10(9-19-13)12(14)11-3-2-8-18-11/h2-3,8-9,12H,4-7,14H2,1H3.
What are the key properties of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine?
[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine has a molecular weight of 294.45 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiophen-2-ylmethanamine is sourced from PubChem (CID 82514920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).