4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine

C11H9N5OS — CID 80891680

IUPAC4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine
SMILESCc1nnc(Sc2nc(N)nc3ccccc23)o1
InChIInChI=1S/C11H9N5OS/c1-6-15-16-11(17-6)18-9-7-4-2-3-5-8(7)13-10(12)14-9/h2-5H,1H3,(H2,12,13,14)
InChIKeyMLIIHTSKXRQRIP-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.05
Rot. Bonds2

About 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine

4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine (PubChem CID 80891680) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine.

Molecular Properties

Compound Name4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine
PubChem CID80891680
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine
SMILESCc1nnc(Sc2nc(N)nc3ccccc23)o1
InChIInChI=1S/C11H9N5OS/c1-6-15-16-11(17-6)18-9-7-4-2-3-5-8(7)13-10(12)14-9/h2-5H,1H3,(H2,12,13,14)
InChIKeyMLIIHTSKXRQRIP-UHFFFAOYSA-N
XLogP2.05
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylquinazolin-2-amine
CID 80887124
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine
CID 102927043
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanamine
CID 63809665
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol
CID 63836117
4-tert-butylsulfanylquinazolin-2-amine
CID 80887043
2-(3-methylquinoxalin-2-yl)sulfanyl-5-phenyl-1,3,4-oxadiazole
CID 3798588
4-[(5-chloro-2-pyridinyl)sulfanyl]quinazolin-2-amine
CID 80890982
4-pyrazin-2-ylsulfanylquinazolin-2-amine
CID 80889192
4-(1,3-thiazol-2-ylsulfanyl)quinazolin-2-amine
CID 80885673
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-nitropyrimidin-2-amine
CID 114044810
2-[2-(difluoromethyl)quinazolin-4-yl]sulfanyl-5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 56575147
4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80892353

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine?
The IUPAC name of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine (CID 80891680) is 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine.
What is the SMILES notation for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine?
The canonical SMILES for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine is Cc1nnc(Sc2nc(N)nc3ccccc23)o1.
What is the InChIKey of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine?
The InChIKey is MLIIHTSKXRQRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c1-6-15-16-11(17-6)18-9-7-4-2-3-5-8(7)13-10(12)14-9/h2-5H,1H3,(H2,12,13,14).
What are the key properties of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine?
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine has a molecular weight of 259.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinazolin-2-amine is sourced from PubChem (CID 80891680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).