4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine

C19H18N4OS — CID 11559363

IUPAC4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine
SMILESCc1ccccc1-c1nnc(-c2sc3nc(C)c(C)c(C)c3c2N)o1
InChIInChI=1S/C19H18N4OS/c1-9-7-5-6-8-13(9)17-22-23-18(24-17)16-15(20)14-11(3)10(2)12(4)21-19(14)25-16/h5-8H,20H2,1-4H3
InChIKeyGHRPFRSAPQWEGB-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.83
Rot. Bonds2

About 4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine

4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine (PubChem CID 11559363) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine
PubChem CID11559363
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine
SMILESCc1ccccc1-c1nnc(-c2sc3nc(C)c(C)c(C)c3c2N)o1
InChIInChI=1S/C19H18N4OS/c1-9-7-5-6-8-13(9)17-22-23-18(24-17)16-15(20)14-11(3)10(2)12(4)21-19(14)25-16/h5-8H,20H2,1-4H3
InChIKeyGHRPFRSAPQWEGB-UHFFFAOYSA-N
XLogP4.83
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine (CID 11559363) is 4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine is Cc1ccccc1-c1nnc(-c2sc3nc(C)c(C)c(C)c3c2N)o1.
What is the InChIKey of 4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine?
The InChIKey is GHRPFRSAPQWEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-9-7-5-6-8-13(9)17-22-23-18(24-17)16-15(20)14-11(3)10(2)12(4)21-19(14)25-16/h5-8H,20H2,1-4H3.
What are the key properties of 4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine?
4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine has a molecular weight of 350.45 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 11559363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).