6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one

C24H31N3O2S2 — CID 158707818

IUPAC6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one
SMILESCOCC(CCCC(=O)Cc1sc2c(c1-c1nc3cnccc3s1)CCNC2)C(C)C
InChIInChI=1S/C24H31N3O2S2/c1-15(2)16(14-29-3)5-4-6-17(28)11-21-23(18-7-9-26-13-22(18)30-21)24-27-19-12-25-10-8-20(19)31-24/h8,10,12,15-16,26H,4-7,9,11,13-14H2,1-3H3
InChIKeyZJWYVFJHFALPSF-UHFFFAOYSA-N
MW457.67 g/mol
LogP5.27
Rot. Bonds10

About 6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one

6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one (PubChem CID 158707818) has the molecular formula C24H31N3O2S2 and a molecular weight of 457.67 g/mol. Its IUPAC name is 6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one.

Molecular Properties

Compound Name6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one
PubChem CID158707818
Molecular FormulaC24H31N3O2S2
Molecular Weight457.67 g/mol
Exact Mass457.19
IUPAC Name6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one
SMILESCOCC(CCCC(=O)Cc1sc2c(c1-c1nc3cnccc3s1)CCNC2)C(C)C
InChIInChI=1S/C24H31N3O2S2/c1-15(2)16(14-29-3)5-4-6-17(28)11-21-23(18-7-9-26-13-22(18)30-21)24-27-19-12-25-10-8-20(19)31-24/h8,10,12,15-16,26H,4-7,9,11,13-14H2,1-3H3
InChIKeyZJWYVFJHFALPSF-UHFFFAOYSA-N
XLogP5.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.67
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one?
The IUPAC name of 6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one (CID 158707818) is 6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one.
What is the SMILES notation for 6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one?
The canonical SMILES for 6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one is COCC(CCCC(=O)Cc1sc2c(c1-c1nc3cnccc3s1)CCNC2)C(C)C.
What is the InChIKey of 6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one?
The InChIKey is ZJWYVFJHFALPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S2/c1-15(2)16(14-29-3)5-4-6-17(28)11-21-23(18-7-9-26-13-22(18)30-21)24-27-19-12-25-10-8-20(19)31-24/h8,10,12,15-16,26H,4-7,9,11,13-14H2,1-3H3.
What are the key properties of 6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one?
6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one has a molecular weight of 457.67 g/mol, XLogP of 5.27, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-7-methyl-1-[3-([1,3]thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]octan-2-one is sourced from PubChem (CID 158707818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).