N-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine

C18H23N5OS — CID 99078230

IUPACN-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine
SMILESCCNc1nc(S[C@H](C)c2nnc(CC(C)C)o2)nc2ccccc12
InChIInChI=1S/C18H23N5OS/c1-5-19-16-13-8-6-7-9-14(13)20-18(21-16)25-12(4)17-23-22-15(24-17)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,19,20,21)/t12-/m1/s1
InChIKeyQHKUQQHAAOFVDR-GFCCVEGCSA-N
MW357.48 g/mol
LogP4.50
Rot. Bonds7

About N-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine

N-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine (PubChem CID 99078230) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is N-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine
PubChem CID99078230
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC NameN-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine
SMILESCCNc1nc(S[C@H](C)c2nnc(CC(C)C)o2)nc2ccccc12
InChIInChI=1S/C18H23N5OS/c1-5-19-16-13-8-6-7-9-14(13)20-18(21-16)25-12(4)17-23-22-15(24-17)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,19,20,21)/t12-/m1/s1
InChIKeyQHKUQQHAAOFVDR-GFCCVEGCSA-N
XLogP4.50
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine with MolForge

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Related Compounds

(3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one
CID 95574265
methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate
CID 51237217
N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine
CID 154837193
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 92839691
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 41176307
N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide
CID 51237233
2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 7627765
N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 24520045
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide
CID 46640249
N-ethyl-2-(5-ethylthiophen-2-yl)quinazolin-4-amine
CID 63500664
N-ethyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-amine
CID 40766758
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-ethylquinazolin-4-amine
CID 38992590

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine?
The IUPAC name of N-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine (CID 99078230) is N-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine.
What is the SMILES notation for N-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine?
The canonical SMILES for N-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine is CCNc1nc(S[C@H](C)c2nnc(CC(C)C)o2)nc2ccccc12.
What is the InChIKey of N-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine?
The InChIKey is QHKUQQHAAOFVDR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-5-19-16-13-8-6-7-9-14(13)20-18(21-16)25-12(4)17-23-22-15(24-17)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,19,20,21)/t12-/m1/s1.
What are the key properties of N-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine?
N-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine has a molecular weight of 357.48 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine is sourced from PubChem (CID 99078230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).