N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine

C15H15N3S2 — CID 62188972

IUPACN-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1CSc1nccs1
InChIInChI=1S/C15H15N3S2/c1-2-16-14-12(10-20-15-17-7-8-19-15)9-11-5-3-4-6-13(11)18-14/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyJIGIBEXISRCBPS-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.42
Rot. Bonds5

About N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine

N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine (PubChem CID 62188972) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine
PubChem CID62188972
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC NameN-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine
SMILESCCNc1nc2ccccc2cc1CSc1nccs1
InChIInChI=1S/C15H15N3S2/c1-2-16-14-12(10-20-15-17-7-8-19-15)9-11-5-3-4-6-13(11)18-14/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyJIGIBEXISRCBPS-UHFFFAOYSA-N
XLogP4.42
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

[3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-yl]hydrazine
CID 62252880
N-ethyl-3-(pyridin-2-ylsulfanylmethyl)quinolin-2-amine
CID 62189453
N-ethyl-3-(1,3-oxazol-2-ylsulfanylmethyl)quinolin-2-amine
CID 106925507
N-ethyl-3-propylquinolin-2-amine
CID 63232591
N-ethyl-3-(2-methoxyethylsulfanylmethyl)quinolin-2-amine
CID 62190013
N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 62468212
[2-(1,3-thiazol-2-ylsulfanyl)quinolin-3-yl]methanamine
CID 55238883
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]quinolin-2-yl]hydrazine
CID 115383671
3-[[cyclopropyl(methyl)amino]methyl]-N-ethylquinolin-2-amine
CID 62182539
3-[(4,5-dimethylimidazol-1-yl)methyl]-N-ethylquinolin-2-amine
CID 62351315
N-ethyl-3-[[ethyl(2-methylpropyl)amino]methyl]quinolin-2-amine
CID 62184472
N-ethyl-6-methyl-2-(1,3-thiazol-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 80655030

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine?
The IUPAC name of N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine (CID 62188972) is N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine.
What is the SMILES notation for N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine?
The canonical SMILES for N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine is CCNc1nc2ccccc2cc1CSc1nccs1.
What is the InChIKey of N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine?
The InChIKey is JIGIBEXISRCBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-2-16-14-12(10-20-15-17-7-8-19-15)9-11-5-3-4-6-13(11)18-14/h3-9H,2,10H2,1H3,(H,16,18).
What are the key properties of N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine?
N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine has a molecular weight of 301.44 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1,3-thiazol-2-ylsulfanylmethyl)quinolin-2-amine is sourced from PubChem (CID 62188972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).