3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one

C15H15N3OS — CID 63829701

IUPAC3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNCCc1cscn1
InChIInChI=1S/C15H15N3OS/c19-15-12(7-11-3-1-2-4-14(11)18-15)8-16-6-5-13-9-20-10-17-13/h1-4,7,9-10,16H,5-6,8H2,(H,18,19)
InChIKeyBZATUTHMKWVIFB-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.32
Rot. Bonds5

About 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one

3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one (PubChem CID 63829701) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one
PubChem CID63829701
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNCCc1cscn1
InChIInChI=1S/C15H15N3OS/c19-15-12(7-11-3-1-2-4-14(11)18-15)8-16-6-5-13-9-20-10-17-13/h1-4,7,9-10,16H,5-6,8H2,(H,18,19)
InChIKeyBZATUTHMKWVIFB-UHFFFAOYSA-N
XLogP2.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]naphthalen-2-amine
CID 63824853
3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one
CID 155952053
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one
CID 63280022
3-[(pent-4-ynylamino)methyl]-1H-quinolin-2-one
CID 113243576
3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 64547030
N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
CID 49346434
N-[(2,3-dimethylphenyl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830404
6-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]pyridin-3-ol
CID 79794984
2-(2-chlorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 115596018
3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one
CID 103934132
3-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-1H-quinolin-2-one
CID 119138424

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one (CID 63829701) is 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CNCCc1cscn1.
What is the InChIKey of 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one?
The InChIKey is BZATUTHMKWVIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c19-15-12(7-11-3-1-2-4-14(11)18-15)8-16-6-5-13-9-20-10-17-13/h1-4,7,9-10,16H,5-6,8H2,(H,18,19).
What are the key properties of 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one?
3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one has a molecular weight of 285.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 63829701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).