3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline

C15H20N4S — CID 79667047

IUPAC3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline
SMILESCN1CCN(C)C(c2nc(-c3cccc(N)c3)cs2)C1
InChIInChI=1S/C15H20N4S/c1-18-6-7-19(2)14(9-18)15-17-13(10-20-15)11-4-3-5-12(16)8-11/h3-5,8,10,14H,6-7,9,16H2,1-2H3
InChIKeyZEDQZZJJDAWNID-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.31
Rot. Bonds2

About 3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline

3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline (PubChem CID 79667047) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline
PubChem CID79667047
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline
SMILESCN1CCN(C)C(c2nc(-c3cccc(N)c3)cs2)C1
InChIInChI=1S/C15H20N4S/c1-18-6-7-19(2)14(9-18)15-17-13(10-20-15)11-4-3-5-12(16)8-11/h3-5,8,10,14H,6-7,9,16H2,1-2H3
InChIKeyZEDQZZJJDAWNID-UHFFFAOYSA-N
XLogP2.31
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline (CID 79667047) is 3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline is CN1CCN(C)C(c2nc(-c3cccc(N)c3)cs2)C1.
What is the InChIKey of 3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline?
The InChIKey is ZEDQZZJJDAWNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-18-6-7-19(2)14(9-18)15-17-13(10-20-15)11-4-3-5-12(16)8-11/h3-5,8,10,14H,6-7,9,16H2,1-2H3.
What are the key properties of 3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline?
3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline has a molecular weight of 288.42 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 79667047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).