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

C13H11N3OS — CID 106921591

IUPAC4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
SMILESCc1coc(Sc2c(N)cnc3ccccc23)n1
InChIInChI=1S/C13H11N3OS/c1-8-7-17-13(16-8)18-12-9-4-2-3-5-11(9)15-6-10(12)14/h2-7H,14H2,1H3
InChIKeyPIFJMJSRSUYXBE-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.26
Rot. Bonds2

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

4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine (PubChem CID 106921591) 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-3-amine.

Molecular Properties

Compound Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
PubChem CID106921591
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine
SMILESCc1coc(Sc2c(N)cnc3ccccc23)n1
InChIInChI=1S/C13H11N3OS/c1-8-7-17-13(16-8)18-12-9-4-2-3-5-11(9)15-6-10(12)14/h2-7H,14H2,1H3
InChIKeyPIFJMJSRSUYXBE-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

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Related Compounds

7-Fluoro-8-(1,3-oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921361
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridin-3-amine
CID 106921480
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
4-[(E)-2-quinolin-2-ylethenyl]-1,3-oxazole
CID 86806261
4-(2-Quinolin-2-ylethenyl)-1,3-oxazole
CID 91941763
6-Bromo-4-(1,3-oxazol-2-ylsulfanyl)quinolin-3-amine
CID 106921305
8-(1,3-Oxazol-2-ylsulfanyl)quinolin-5-amine
CID 106921350
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
5-Methyl-6-(1,3-oxazol-2-ylsulfanyl)pyridin-3-amine
CID 106921419

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine?
The IUPAC name of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine (CID 106921591) is 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine.
What is the SMILES notation for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine?
The canonical SMILES for 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine is Cc1coc(Sc2c(N)cnc3ccccc23)n1.
What is the InChIKey of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine?
The InChIKey is PIFJMJSRSUYXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-7-17-13(16-8)18-12-9-4-2-3-5-11(9)15-6-10(12)14/h2-7H,14H2,1H3.
What are the key properties of 4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-amine?
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]quinolin-3-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-3-amine is sourced from PubChem (CID 106921591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).