6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine

C12H8BrN3OS — CID 106921305

IUPAC6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine
SMILESNc1cnc2ccc(Br)cc2c1Sc1ncco1
InChIInChI=1S/C12H8BrN3OS/c13-7-1-2-10-8(5-7)11(9(14)6-16-10)18-12-15-3-4-17-12/h1-6H,14H2
InChIKeyXQWKGFNZZSKFDP-UHFFFAOYSA-N
MW322.19 g/mol
LogP3.72
Rot. Bonds2

About 6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine

6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine (PubChem CID 106921305) has the molecular formula C12H8BrN3OS and a molecular weight of 322.19 g/mol. Its IUPAC name is 6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine
PubChem CID106921305
Molecular FormulaC12H8BrN3OS
Molecular Weight322.19 g/mol
Exact Mass320.96
IUPAC Name6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine
SMILESNc1cnc2ccc(Br)cc2c1Sc1ncco1
InChIInChI=1S/C12H8BrN3OS/c13-7-1-2-10-8(5-7)11(9(14)6-16-10)18-12-15-3-4-17-12/h1-6H,14H2
InChIKeyXQWKGFNZZSKFDP-UHFFFAOYSA-N
XLogP3.72
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Bromo-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-amine
CID 55053541
8-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921350
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
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-8-amine
CID 106921474
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
CID 106921591
6-Bromo-4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
CID 106921619
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
CID 106921742
2-(1,3-Oxazol-2-ylsulfanyl)quinoline-3-carbonitrile
CID 106922360
4-(1,3-Oxazol-2-ylsulfanyl)quinoline-3-carbonitrile
CID 106922370
N'-hydroxy-4-(1,3-oxazol-2-ylsulfanyl)quinoline-3-carboximidamide
CID 106922563

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine?
The IUPAC name of 6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine (CID 106921305) is 6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine?
The canonical SMILES for 6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine is Nc1cnc2ccc(Br)cc2c1Sc1ncco1.
What is the InChIKey of 6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine?
The InChIKey is XQWKGFNZZSKFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3OS/c13-7-1-2-10-8(5-7)11(9(14)6-16-10)18-12-15-3-4-17-12/h1-6H,14H2.
What are the key properties of 6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine?
6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine has a molecular weight of 322.19 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine is sourced from PubChem (CID 106921305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).