4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile

C19H19N5OS — CID 155949579

IUPAC4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile
SMILESCCc1nc(C(C)Sc2nc(N)cc(N)c2C#N)oc1-c1ccccc1
InChIInChI=1S/C19H19N5OS/c1-3-15-17(12-7-5-4-6-8-12)25-18(23-15)11(2)26-19-13(10-20)14(21)9-16(22)24-19/h4-9,11H,3H2,1-2H3,(H4,21,22,24)
InChIKeyKHTIDUKHMLXUAY-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.19
Rot. Bonds5

About 4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile

4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile (PubChem CID 155949579) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile
PubChem CID155949579
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile
SMILESCCc1nc(C(C)Sc2nc(N)cc(N)c2C#N)oc1-c1ccccc1
InChIInChI=1S/C19H19N5OS/c1-3-15-17(12-7-5-4-6-8-12)25-18(23-15)11(2)26-19-13(10-20)14(21)9-16(22)24-19/h4-9,11H,3H2,1-2H3,(H4,21,22,24)
InChIKeyKHTIDUKHMLXUAY-UHFFFAOYSA-N
XLogP4.19
TPSA114.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile (CID 155949579) is 4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile is CCc1nc(C(C)Sc2nc(N)cc(N)c2C#N)oc1-c1ccccc1.
What is the InChIKey of 4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile?
The InChIKey is KHTIDUKHMLXUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-3-15-17(12-7-5-4-6-8-12)25-18(23-15)11(2)26-19-13(10-20)14(21)9-16(22)24-19/h4-9,11H,3H2,1-2H3,(H4,21,22,24).
What are the key properties of 4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile?
4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile has a molecular weight of 365.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-2-[1-(4-ethyl-5-phenyl-1,3-oxazol-2-yl)ethylsulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 155949579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).