N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide

C23H24N4O2S3 — CID 122624264

IUPACN-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide
SMILESCCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(CNC(C)=O)cc3)c2c1N
InChIInChI=1S/C23H24N4O2S3/c1-3-4-11-32(29)23-20(24)19-17(16-7-5-15(6-8-16)13-26-14(2)28)12-18(27-22(19)31-23)21-25-9-10-30-21/h5-10,12H,3-4,11,13,24H2,1-2H3,(H,26,28)
InChIKeyPZBHXKQGQHMEAV-UHFFFAOYSA-N
MW484.67 g/mol
LogP5.21
Rot. Bonds8

About N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide

N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide (PubChem CID 122624264) has the molecular formula C23H24N4O2S3 and a molecular weight of 484.67 g/mol. Its IUPAC name is N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide
PubChem CID122624264
Molecular FormulaC23H24N4O2S3
Molecular Weight484.67 g/mol
Exact Mass484.11
IUPAC NameN-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide
SMILESCCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(CNC(C)=O)cc3)c2c1N
InChIInChI=1S/C23H24N4O2S3/c1-3-4-11-32(29)23-20(24)19-17(16-7-5-15(6-8-16)13-26-14(2)28)12-18(27-22(19)31-23)21-25-9-10-30-21/h5-10,12H,3-4,11,13,24H2,1-2H3,(H,26,28)
InChIKeyPZBHXKQGQHMEAV-UHFFFAOYSA-N
XLogP5.21
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.67
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide (CID 122624264) is N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide is CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(CNC(C)=O)cc3)c2c1N.
What is the InChIKey of N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide?
The InChIKey is PZBHXKQGQHMEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S3/c1-3-4-11-32(29)23-20(24)19-17(16-7-5-15(6-8-16)13-26-14(2)28)12-18(27-22(19)31-23)21-25-9-10-30-21/h5-10,12H,3-4,11,13,24H2,1-2H3,(H,26,28).
What are the key properties of N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide?
N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide has a molecular weight of 484.67 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 122624264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).