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

C14H14N4S — CID 103001288

IUPAC4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine
SMILESCC(Nc1ccnc2cc(N)ccc12)c1nccs1
InChIInChI=1S/C14H14N4S/c1-9(14-17-6-7-19-14)18-12-4-5-16-13-8-10(15)2-3-11(12)13/h2-9H,15H2,1H3,(H,16,18)
InChIKeyRFVPACHZQYUWGO-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.45
Rot. Bonds3

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

4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine (PubChem CID 103001288) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine
PubChem CID103001288
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine
SMILESCC(Nc1ccnc2cc(N)ccc12)c1nccs1
InChIInChI=1S/C14H14N4S/c1-9(14-17-6-7-19-14)18-12-4-5-16-13-8-10(15)2-3-11(12)13/h2-9H,15H2,1H3,(H,16,18)
InChIKeyRFVPACHZQYUWGO-UHFFFAOYSA-N
XLogP3.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.45
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

7-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 63613248
4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]quinoline-4,7-diamine
CID 103000741
4-N-[2-(dimethylamino)propyl]quinoline-4,7-diamine
CID 103000943
6-amino-2-[1-(1,3-thiazol-2-yl)ethylamino]-3H-quinazolin-4-one
CID 136809074
8-methoxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]quinolin-4-amine
CID 99838885
2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988089
2-chloro-4-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993233
4-N-[(3-ethylthiophen-2-yl)methyl]quinoline-4,7-diamine
CID 103001503
2-[(7-aminoquinolin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106780
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
3-bromo-4-[1-(1,3-thiazol-2-yl)ethylamino]benzenecarbothioamide
CID 82804954
4-chloro-5-fluoro-1-N-[1-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 66076691

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine?
The IUPAC name of 4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine (CID 103001288) is 4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine.
What is the SMILES notation for 4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine?
The canonical SMILES for 4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine is CC(Nc1ccnc2cc(N)ccc12)c1nccs1.
What is the InChIKey of 4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine?
The InChIKey is RFVPACHZQYUWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-9(14-17-6-7-19-14)18-12-4-5-16-13-8-10(15)2-3-11(12)13/h2-9H,15H2,1H3,(H,16,18).
What are the key properties of 4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine?
4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine has a molecular weight of 270.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(1,3-thiazol-2-yl)ethyl]quinoline-4,7-diamine is sourced from PubChem (CID 103001288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).