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

C15H20N4S — CID 62962466

IUPAC3-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline
SMILESCCc1csc(N2CCN(c3cccc(N)c3)CC2)n1
InChIInChI=1S/C15H20N4S/c1-2-13-11-20-15(17-13)19-8-6-18(7-9-19)14-5-3-4-12(16)10-14/h3-5,10-11H,2,6-9,16H2,1H3
InChIKeyZYHAVVJMAUNRCL-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.61
Rot. Bonds3

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

3-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline (PubChem CID 62962466) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline.

Molecular Properties

Compound Name3-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline
PubChem CID62962466
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name3-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline
SMILESCCc1csc(N2CCN(c3cccc(N)c3)CC2)n1
InChIInChI=1S/C15H20N4S/c1-2-13-11-20-15(17-13)19-8-6-18(7-9-19)14-5-3-4-12(16)10-14/h3-5,10-11H,2,6-9,16H2,1H3
InChIKeyZYHAVVJMAUNRCL-UHFFFAOYSA-N
XLogP2.61
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.61
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-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline?
The IUPAC name of 3-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline (CID 62962466) is 3-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline.
What is the SMILES notation for 3-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline?
The canonical SMILES for 3-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline is CCc1csc(N2CCN(c3cccc(N)c3)CC2)n1.
What is the InChIKey of 3-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline?
The InChIKey is ZYHAVVJMAUNRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-13-11-20-15(17-13)19-8-6-18(7-9-19)14-5-3-4-12(16)10-14/h3-5,10-11H,2,6-9,16H2,1H3.
What are the key properties of 3-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline?
3-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline has a molecular weight of 288.42 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline is sourced from PubChem (CID 62962466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).