[4-[4-(acetyloxymethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-yl]azanide

C23H22N3O3S3- — CID 144839705

About [4-[4-(acetyloxymethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-yl]azanide

[4-[4-(acetyloxymethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-yl]azanide (PubChem CID 144839705) has the molecular formula C23H22N3O3S3- and a molecular weight of 484.65 g/mol. Its IUPAC name is [4-[4-(acetyloxymethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-yl]azanide.

Molecular Properties

• Compound Name: [4-[4-(acetyloxymethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-yl]azanide
• PubChem CID: 144839705
• Molecular Formula: C23H22N3O3S3-
• Molecular Weight: 484.65 g/mol
• Exact Mass: 484.08
• IUPAC Name: [4-[4-(acetyloxymethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-yl]azanide
• SMILES: CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(C)=O)cc3)c2c1[NH-]
• InChI: InChI=1S/C23H22N3O3S3/c1-3-4-11-32(28)23-20(24)19-17(16-7-5-15(6-8-16)13-29-14(2)27)12-18(26-22(19)31-23)21-25-9-10-30-21/h5-10,12,24H,3-4,11,13H2,1-2H3/q-1
• InChIKey: KOJFMUHJXXCILK-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 92.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.65
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[4-(acetyloxymethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-yl]azanide?

The IUPAC name of [4-[4-(acetyloxymethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-yl]azanide (CID 144839705) is [4-[4-(acetyloxymethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-yl]azanide.

What is the SMILES notation for [4-[4-(acetyloxymethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-yl]azanide?

The canonical SMILES for [4-[4-(acetyloxymethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-yl]azanide is CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(C)=O)cc3)c2c1[NH-].

What is the InChIKey of [4-[4-(acetyloxymethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-yl]azanide?

The InChIKey is KOJFMUHJXXCILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N3O3S3/c1-3-4-11-32(28)23-20(24)19-17(16-7-5-15(6-8-16)13-29-14(2)27)12-18(26-22(19)31-23)21-25-9-10-30-21/h5-10,12,24H,3-4,11,13H2,1-2H3/q-1.

What are the key properties of [4-[4-(acetyloxymethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-yl]azanide?

[4-[4-(acetyloxymethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-yl]azanide has a molecular weight of 484.65 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(acetyloxymethyl)phenyl]-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-yl]azanide is sourced from PubChem (CID 144839705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).