5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine

C19H23N3OS — CID 155511628

IUPAC5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine
SMILESCCCNc1nc2nc(CC)c(C)c(-c3ccc(OC)cc3)c2s1
InChIInChI=1S/C19H23N3OS/c1-5-11-20-19-22-18-17(24-19)16(12(3)15(6-2)21-18)13-7-9-14(23-4)10-8-13/h7-10H,5-6,11H2,1-4H3,(H,20,21,22)
InChIKeyMIXDAXNJCIRHCN-UHFFFAOYSA-N
MW341.48 g/mol
LogP5.06
Rot. Bonds6

About 5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine

5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine (PubChem CID 155511628) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine
PubChem CID155511628
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine
SMILESCCCNc1nc2nc(CC)c(C)c(-c3ccc(OC)cc3)c2s1
InChIInChI=1S/C19H23N3OS/c1-5-11-20-19-22-18-17(24-19)16(12(3)15(6-2)21-18)13-7-9-14(23-4)10-8-13/h7-10H,5-6,11H2,1-4H3,(H,20,21,22)
InChIKeyMIXDAXNJCIRHCN-UHFFFAOYSA-N
XLogP5.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine?
The IUPAC name of 5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine (CID 155511628) is 5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine?
The canonical SMILES for 5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine is CCCNc1nc2nc(CC)c(C)c(-c3ccc(OC)cc3)c2s1.
What is the InChIKey of 5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine?
The InChIKey is MIXDAXNJCIRHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-5-11-20-19-22-18-17(24-19)16(12(3)15(6-2)21-18)13-7-9-14(23-4)10-8-13/h7-10H,5-6,11H2,1-4H3,(H,20,21,22).
What are the key properties of 5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine?
5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine has a molecular weight of 341.48 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(4-methoxyphenyl)-6-methyl-N-propyl-[1,3]thiazolo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 155511628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).