4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine

C13H11N3OS — CID 106921474

IUPAC4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
SMILESCc1coc(Sc2ccnc3c(N)cccc23)n1
InChIInChI=1S/C13H11N3OS/c1-8-7-17-13(16-8)18-11-5-6-15-12-9(11)3-2-4-10(12)14/h2-7H,14H2,1H3
InChIKeyRAPHSVJXHDYYLZ-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.26
Rot. Bonds2

About 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine

4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine (PubChem CID 106921474) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine.

Molecular Properties

Compound Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
PubChem CID106921474
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
SMILESCc1coc(Sc2ccnc3c(N)cccc23)n1
InChIInChI=1S/C13H11N3OS/c1-8-7-17-13(16-8)18-11-5-6-15-12-9(11)3-2-4-10(12)14/h2-7H,14H2,1H3
InChIKeyRAPHSVJXHDYYLZ-UHFFFAOYSA-N
XLogP3.26
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

7-Fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
CID 106921521
2-methyl-N-(1,3-oxazol-5-ylmethyl)quinolin-8-amine
CID 65966154
6-Bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine
CID 106921305
3-Methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine
CID 106921318
8-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921350
8-(1,3-Oxazol-2-ylsulfanyl)isoquinolin-5-amine
CID 106921365
6-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921371
4-(1,3-Oxazol-2-ylsulfanyl)quinolin-7-amine
CID 106921410
2-(1,3-Oxazol-2-ylsulfanyl)quinolin-6-amine
CID 106921414
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921453
6-Bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
CID 106921463
3-Methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 106921478

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine?
The IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine (CID 106921474) is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine.
What is the SMILES notation for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine?
The canonical SMILES for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine is Cc1coc(Sc2ccnc3c(N)cccc23)n1.
What is the InChIKey of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine?
The InChIKey is RAPHSVJXHDYYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-7-17-13(16-8)18-11-5-6-15-12-9(11)3-2-4-10(12)14/h2-7H,14H2,1H3.
What are the key properties of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine?
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine has a molecular weight of 257.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine is sourced from PubChem (CID 106921474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).