7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine

C12H8FN3OS — CID 106921361

IUPAC7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine
SMILESNc1cc(F)c(Sc2ncco2)c2ncccc12
InChIInChI=1S/C12H8FN3OS/c13-8-6-9(14)7-2-1-3-15-10(7)11(8)18-12-16-4-5-17-12/h1-6H,14H2
InChIKeySVWUXLSKWNSVNV-UHFFFAOYSA-N
MW261.28 g/mol
LogP3.10
Rot. Bonds2

About 7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine

7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine (PubChem CID 106921361) has the molecular formula C12H8FN3OS and a molecular weight of 261.28 g/mol. Its IUPAC name is 7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine.

Molecular Properties

Compound Name7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine
PubChem CID106921361
Molecular FormulaC12H8FN3OS
Molecular Weight261.28 g/mol
Exact Mass261.04
IUPAC Name7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine
SMILESNc1cc(F)c(Sc2ncco2)c2ncccc12
InChIInChI=1S/C12H8FN3OS/c13-8-6-9(14)7-2-1-3-15-10(7)11(8)18-12-16-4-5-17-12/h1-6H,14H2
InChIKeySVWUXLSKWNSVNV-UHFFFAOYSA-N
XLogP3.10
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 53.10
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
8-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-7-fluoroquinolin-5-amine
CID 106921671
N-(1,3-oxazol-5-ylmethyl)quinolin-5-amine
CID 65966088
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
3-Methyl-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 106921478
5-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 106921485

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine?
The IUPAC name of 7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine (CID 106921361) is 7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine.
What is the SMILES notation for 7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine?
The canonical SMILES for 7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine is Nc1cc(F)c(Sc2ncco2)c2ncccc12.
What is the InChIKey of 7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine?
The InChIKey is SVWUXLSKWNSVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3OS/c13-8-6-9(14)7-2-1-3-15-10(7)11(8)18-12-16-4-5-17-12/h1-6H,14H2.
What are the key properties of 7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine?
7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine has a molecular weight of 261.28 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine is sourced from PubChem (CID 106921361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).