2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine

C14H14N4S — CID 55176380

IUPAC2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine
SMILESNc1ccc2nc(NCCc3nccs3)ccc2c1
InChIInChI=1S/C14H14N4S/c15-11-2-3-12-10(9-11)1-4-13(18-12)16-6-5-14-17-7-8-19-14/h1-4,7-9H,5-6,15H2,(H,16,18)
InChIKeyFBRCERRQGDXKSE-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.93
Rot. Bonds4

About 2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine

2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine (PubChem CID 55176380) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine
PubChem CID55176380
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine
SMILESNc1ccc2nc(NCCc3nccs3)ccc2c1
InChIInChI=1S/C14H14N4S/c15-11-2-3-12-10(9-11)1-4-13(18-12)16-6-5-14-17-7-8-19-14/h1-4,7-9H,5-6,15H2,(H,16,18)
InChIKeyFBRCERRQGDXKSE-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

2-[(6-aminoquinolin-2-yl)amino]ethanol
CID 43450889
6-hydrazinyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80914412
N-[2-(1,3-thiazol-2-yl)ethyl]quinoxalin-2-amine
CID 49432129
4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750805
2-[2-(1,3-thiazol-2-yl)ethylamino]quinoline-4-carbothioamide
CID 63884768
2-N-(pyridin-4-ylmethyl)quinoline-2,6-diamine
CID 43450886
2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80828387
3-N-[2-(1,3-thiazol-2-yl)ethyl]quinoxaline-2,3-diamine
CID 102984316
2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 55175798
2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine
CID 62039822
5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 65206505
2-(1,3-thiazol-2-ylsulfanyl)quinolin-6-amine
CID 61219105

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine?
The IUPAC name of 2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine (CID 55176380) is 2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine.
What is the SMILES notation for 2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine?
The canonical SMILES for 2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine is Nc1ccc2nc(NCCc3nccs3)ccc2c1.
What is the InChIKey of 2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine?
The InChIKey is FBRCERRQGDXKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c15-11-2-3-12-10(9-11)1-4-13(18-12)16-6-5-14-17-7-8-19-14/h1-4,7-9H,5-6,15H2,(H,16,18).
What are the key properties of 2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine?
2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-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 2-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-2,6-diamine is sourced from PubChem (CID 55176380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).