4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine

C19H14N8OS — CID 149252158

IUPAC4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine
SMILESc1cnc(Nc2nc3ccccc3c(Nc3ncco3)c2Nc2nccs2)nc1
InChIInChI=1S/C19H14N8OS/c1-2-5-13-12(4-1)14(25-18-22-8-10-28-18)15(26-19-23-9-11-29-19)16(24-13)27-17-20-6-3-7-21-17/h1-11H,(H,23,26)(H2,20,21,22,24,25,27)
InChIKeySAJQLKDAKITQMK-UHFFFAOYSA-N
MW402.44 g/mol
LogP4.70
Rot. Bonds6

About 4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine

4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine (PubChem CID 149252158) has the molecular formula C19H14N8OS and a molecular weight of 402.44 g/mol. Its IUPAC name is 4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine.

Molecular Properties

Compound Name4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine
PubChem CID149252158
Molecular FormulaC19H14N8OS
Molecular Weight402.44 g/mol
Exact Mass402.10
IUPAC Name4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine
SMILESc1cnc(Nc2nc3ccccc3c(Nc3ncco3)c2Nc2nccs2)nc1
InChIInChI=1S/C19H14N8OS/c1-2-5-13-12(4-1)14(25-18-22-8-10-28-18)15(26-19-23-9-11-29-19)16(24-13)27-17-20-6-3-7-21-17/h1-11H,(H,23,26)(H2,20,21,22,24,25,27)
InChIKeySAJQLKDAKITQMK-UHFFFAOYSA-N
XLogP4.70
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine with MolForge

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Related Compounds

N-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]-4-methyl-1,3-thiazol-2-amine
CID 58541818
N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 69280633
2-[2-Pyrimidin-2-yl-4-quinolin-2-yl-5-(1,3-thiazol-2-yl)imidazol-1-yl]-1,3-oxazole
CID 141180705
5-N-(1H-imidazol-2-yl)-4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4,5-tetramine
CID 148548203
benzene;ethane;2H-imidazo[1,2-a]pyridin-4-ium;1,2,4-oxadiazole;1,3-oxazole;pyridine;pyrimidine;quinoline;1,3-thiazole
CID 157210642
N-[2-(1H-indol-3-yl)ethyl]-5-(1,3-oxazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 171505132
1,3-Oxazole;pyridin-2-amine;quinolin-2-amine;1,3-thiazole
CID 174511025
1,8-Naphthyridin-2-amine;1,3-oxazole;pyridin-2-amine;1,3-thiazole
CID 174511237

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine?
The IUPAC name of 4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine (CID 149252158) is 4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine.
What is the SMILES notation for 4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine?
The canonical SMILES for 4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine is c1cnc(Nc2nc3ccccc3c(Nc3ncco3)c2Nc2nccs2)nc1.
What is the InChIKey of 4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine?
The InChIKey is SAJQLKDAKITQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8OS/c1-2-5-13-12(4-1)14(25-18-22-8-10-28-18)15(26-19-23-9-11-29-19)16(24-13)27-17-20-6-3-7-21-17/h1-11H,(H,23,26)(H2,20,21,22,24,25,27).
What are the key properties of 4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine?
4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine has a molecular weight of 402.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-oxazol-2-yl)-2-N-pyrimidin-2-yl-3-N-(1,3-thiazol-2-yl)quinoline-2,3,4-triamine is sourced from PubChem (CID 149252158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).