4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine

C14H14N4S — CID 103001214

IUPAC4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine
SMILESNc1ccc2c(NCCc3cscn3)ccnc2c1
InChIInChI=1S/C14H14N4S/c15-10-1-2-12-13(4-6-17-14(12)7-10)16-5-3-11-8-19-9-18-11/h1-2,4,6-9H,3,5,15H2,(H,16,17)
InChIKeyQDPLAUISJBHPEQ-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.93
Rot. Bonds4

About 4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine

4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine (PubChem CID 103001214) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine
PubChem CID103001214
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine
SMILESNc1ccc2c(NCCc3cscn3)ccnc2c1
InChIInChI=1S/C14H14N4S/c15-10-1-2-12-13(4-6-17-14(12)7-10)16-5-3-11-8-19-9-18-11/h1-2,4,6-9H,3,5,15H2,(H,16,17)
InChIKeyQDPLAUISJBHPEQ-UHFFFAOYSA-N
XLogP2.93
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(2-fluorophenyl)ethyl]quinoline-4,7-diamine
CID 103000150
4-N-but-3-enylquinoline-4,7-diamine
CID 103001772
4-N-[2-(3-fluorophenyl)ethyl]quinoline-4,7-diamine
CID 103000463
4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine
CID 103001025
4-N-[2-[ethyl(methyl)amino]ethyl]quinoline-4,7-diamine
CID 103001063
4-N-(2-cyclohexylethyl)quinoline-4,7-diamine
CID 103000540
4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 114281261
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799
4-N-[3-[methyl(propan-2-yl)amino]propyl]quinoline-4,7-diamine
CID 106036752
2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 63830219
3-fluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 63829324
3-[(7-aminoquinolin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 103001581

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine (CID 103001214) is 4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine is Nc1ccc2c(NCCc3cscn3)ccnc2c1.
What is the InChIKey of 4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine?
The InChIKey is QDPLAUISJBHPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c15-10-1-2-12-13(4-6-17-14(12)7-10)16-5-3-11-8-19-9-18-11/h1-2,4,6-9H,3,5,15H2,(H,16,17).
What are the key properties of 4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine?
4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine has a molecular weight of 270.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine is sourced from PubChem (CID 103001214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).