8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine

C13H11N3OS — CID 106921512

IUPAC8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
SMILESCc1coc(Sc2ccc(N)c3cccnc23)n1
InChIInChI=1S/C13H11N3OS/c1-8-7-17-13(16-8)18-11-5-4-10(14)9-3-2-6-15-12(9)11/h2-7H,14H2,1H3
InChIKeyLZQRAYBDNNWSBX-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.26
Rot. Bonds2

About 8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine

8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine (PubChem CID 106921512) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine.

Molecular Properties

Compound Name8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
PubChem CID106921512
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
SMILESCc1coc(Sc2ccc(N)c3cccnc23)n1
InChIInChI=1S/C13H11N3OS/c1-8-7-17-13(16-8)18-11-5-4-10(14)9-3-2-6-15-12(9)11/h2-7H,14H2,1H3
InChIKeyLZQRAYBDNNWSBX-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'}

Analyze 8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

7-Fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921361
7-Fluoro-8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine
CID 106921521
8-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine
CID 106921671
2-Ethyl-4-methyl-5-(quinolin-8-ylsulfanylmethyl)-1,3-oxazole
CID 167862496
3-Methyl-5-(1,3-oxazol-2-ylsulfanyl)isoquinolin-8-amine
CID 106921318
5-(1,3-Oxazol-2-ylsulfanyl)isoquinolin-8-amine
CID 106921325
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
6-Bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
CID 106921463

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine?
The IUPAC name of 8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine (CID 106921512) is 8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine.
What is the SMILES notation for 8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine?
The canonical SMILES for 8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine is Cc1coc(Sc2ccc(N)c3cccnc23)n1.
What is the InChIKey of 8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine?
The InChIKey is LZQRAYBDNNWSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-7-17-13(16-8)18-11-5-4-10(14)9-3-2-6-15-12(9)11/h2-7H,14H2,1H3.
What are the key properties of 8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine?
8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-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 8-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-5-amine is sourced from PubChem (CID 106921512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).