N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine

C20H17N5OS — CID 18269220

IUPACN-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine
SMILESc1ccc(-c2noc(CSc3nc(NC4CC4)c4ccccc4n3)n2)cc1
InChIInChI=1S/C20H17N5OS/c1-2-6-13(7-3-1)18-23-17(26-25-18)12-27-20-22-16-9-5-4-8-15(16)19(24-20)21-14-10-11-14/h1-9,14H,10-12H2,(H,21,22,24)
InChIKeyZNAMTRNHENZJKL-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.55
Rot. Bonds6

About N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine

N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine (PubChem CID 18269220) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine
PubChem CID18269220
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC NameN-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine
SMILESc1ccc(-c2noc(CSc3nc(NC4CC4)c4ccccc4n3)n2)cc1
InChIInChI=1S/C20H17N5OS/c1-2-6-13(7-3-1)18-23-17(26-25-18)12-27-20-22-16-9-5-4-8-15(16)19(24-20)21-14-10-11-14/h1-9,14H,10-12H2,(H,21,22,24)
InChIKeyZNAMTRNHENZJKL-UHFFFAOYSA-N
XLogP4.55
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine?
The IUPAC name of N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine (CID 18269220) is N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine?
The canonical SMILES for N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine is c1ccc(-c2noc(CSc3nc(NC4CC4)c4ccccc4n3)n2)cc1.
What is the InChIKey of N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine?
The InChIKey is ZNAMTRNHENZJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-2-6-13(7-3-1)18-23-17(26-25-18)12-27-20-22-16-9-5-4-8-15(16)19(24-20)21-14-10-11-14/h1-9,14H,10-12H2,(H,21,22,24).
What are the key properties of N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine?
N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine has a molecular weight of 375.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-amine is sourced from PubChem (CID 18269220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).