4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole

C19H14N4OS2 — CID 40567953

IUPAC4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCc1cc2nnc(SCc3coc(-c4cccs4)n3)n2c2ccccc12
InChIInChI=1S/C19H14N4OS2/c1-12-9-17-21-22-19(23(17)15-6-3-2-5-14(12)15)26-11-13-10-24-18(20-13)16-7-4-8-25-16/h2-10H,11H2,1H3
InChIKeyMWQKNRAVHAVZJQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.20
Rot. Bonds4

About 4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole

4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 40567953) has the molecular formula C19H14N4OS2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID40567953
Molecular FormulaC19H14N4OS2
Molecular Weight378.48 g/mol
Exact Mass378.06
IUPAC Name4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
SMILESCc1cc2nnc(SCc3coc(-c4cccs4)n3)n2c2ccccc12
InChIInChI=1S/C19H14N4OS2/c1-12-9-17-21-22-19(23(17)15-6-3-2-5-14(12)15)26-11-13-10-24-18(20-13)16-7-4-8-25-16/h2-10H,11H2,1H3
InChIKeyMWQKNRAVHAVZJQ-UHFFFAOYSA-N
XLogP5.20
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole with MolForge

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Related Compounds

2-(4-methylphenyl)-4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,3-oxazole
CID 32993711
4-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
CID 2566188
7-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2612968
4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
CID 7625422
3-methyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole
CID 18099710
5-(furan-2-yl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole
CID 18201699
2-ethyl-5-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 18130571
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 17437492
N,N-diethyl-4-[4-ethyl-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline
CID 46806138
2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-phenylethanol
CID 110879321
2-(4-methylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 7816237
2-thiophen-2-yl-4-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 51294564

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole (CID 40567953) is 4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole is Cc1cc2nnc(SCc3coc(-c4cccs4)n3)n2c2ccccc12.
What is the InChIKey of 4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is MWQKNRAVHAVZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS2/c1-12-9-17-21-22-19(23(17)15-6-3-2-5-14(12)15)26-11-13-10-24-18(20-13)16-7-4-8-25-16/h2-10H,11H2,1H3.
What are the key properties of 4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole?
4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 378.48 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 40567953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).