6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine

C13H10N4O2S — CID 104577433

IUPAC6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NCc3cncs3)ccc2c1
InChIInChI=1S/C13H10N4O2S/c18-17(19)10-2-3-12-9(5-10)1-4-13(16-12)15-7-11-6-14-8-20-11/h1-6,8H,7H2,(H,15,16)
InChIKeyOIJNDGDTZAHPAU-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.21
Rot. Bonds4

About 6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine

6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine (PubChem CID 104577433) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine.

Molecular Properties

Compound Name6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine
PubChem CID104577433
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine
SMILESO=[N+]([O-])c1ccc2nc(NCc3cncs3)ccc2c1
InChIInChI=1S/C13H10N4O2S/c18-17(19)10-2-3-12-9(5-10)1-4-13(16-12)15-7-11-6-14-8-20-11/h1-6,8H,7H2,(H,15,16)
InChIKeyOIJNDGDTZAHPAU-UHFFFAOYSA-N
XLogP3.21
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-6-nitroquinolin-2-amine
CID 78983744
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-nitroquinolin-2-amine
CID 107143500
N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
CID 43450811
6-nitro-N-prop-2-ynylquinolin-2-amine
CID 55040690
6-nitro-N-propylquinolin-2-amine
CID 43450859
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-nitroquinolin-2-amine
CID 103703230
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-nitroquinolin-2-amine
CID 133405682
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-nitroquinolin-2-amine
CID 133306017
6-nitro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]quinolin-2-amine
CID 133379936
5-[(6-nitroquinolin-2-yl)amino]pentan-1-ol
CID 107302495
N,2-dimethyl-N'-(6-nitroquinolin-2-yl)propane-1,3-diamine
CID 115303024

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine?
The IUPAC name of 6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine (CID 104577433) is 6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine.
What is the SMILES notation for 6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine?
The canonical SMILES for 6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine is O=[N+]([O-])c1ccc2nc(NCc3cncs3)ccc2c1.
What is the InChIKey of 6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine?
The InChIKey is OIJNDGDTZAHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c18-17(19)10-2-3-12-9(5-10)1-4-13(16-12)15-7-11-6-14-8-20-11/h1-6,8H,7H2,(H,15,16).
What are the key properties of 6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine?
6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine has a molecular weight of 286.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-(1,3-thiazol-5-ylmethyl)quinolin-2-amine is sourced from PubChem (CID 104577433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).