[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine

C91H101N15O10S10 — CID 159811397

About [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine

[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine (PubChem CID 159811397) has the molecular formula C91H101N15O10S10 and a molecular weight of 1885.57 g/mol. Its IUPAC name is [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine.

Molecular Properties

• Compound Name: [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine
• PubChem CID: 159811397
• Molecular Formula: C91H101N15O10S10
• Molecular Weight: 1885.57 g/mol
• Exact Mass: 1883.51
• IUPAC Name: [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine
• SMILES: CCCCS(=O)C1=Cc2c(C3=CN=C(C)C3)cc(-c3nccs3)nc2C1.CCCCS(=O)c1cc2c(C3=CN=C(C)C3)cc(-c3nccs3)nc2o1.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)NCCN(C)C)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)OCCN(C)C)cc3)c2c1N
• InChI: InChI=1S/C26H31N5O3S3.C26H30N4O4S3.C20H21N3OS2.C19H19N3O2S2/c1-4-5-14-37(33)25-22(27)21-19(15-20(30-24(21)36-25)23-28-11-13-35-23)18-8-6-17(7-9-18)16-34-26(32)29-10-12-31(2)3;1-4-5-14-37(32)25-22(27)21-19(15-20(29-24(21)36-25)23-28-10-13-35-23)18-8-6-17(7-9-18)16-34-26(31)33-12-11-30(2)3;1-3-4-7-26(24)15-9-17-16(14-8-13(2)22-12-14)11-19(23-18(17)10-15)20-21-5-6-25-20;1-3-4-7-26(23)17-10-15-14(13-8-12(2)21-11-13)9-16(22-18(15)24-17)19-20-5-6-25-19/h6-9,11,13,15H,4-5,10,12,14,16,27H2,1-3H3,(H,29,32);6-10,13,15H,4-5,11-12,14,16,27H2,1-3H3;5-6,9,11-12H,3-4,7-8,10H2,1-2H3;5-6,9-11H,3-4,7-8H2,1-2H3
• InChIKey: NLBMKBPBZZDZDT-UHFFFAOYSA-N
• XLogP: 21.08
• TPSA: 341.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1885.57
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine?

The IUPAC name of [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine (CID 159811397) is [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine.

What is the SMILES notation for [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine?

The canonical SMILES for [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine is CCCCS(=O)C1=Cc2c(C3=CN=C(C)C3)cc(-c3nccs3)nc2C1.CCCCS(=O)c1cc2c(C3=CN=C(C)C3)cc(-c3nccs3)nc2o1.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)NCCN(C)C)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)OCCN(C)C)cc3)c2c1N.

What is the InChIKey of [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine?

The InChIKey is NLBMKBPBZZDZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S3.C26H30N4O4S3.C20H21N3OS2.C19H19N3O2S2/c1-4-5-14-37(33)25-22(27)21-19(15-20(30-24(21)36-25)23-28-11-13-35-23)18-8-6-17(7-9-18)16-34-26(32)29-10-12-31(2)3;1-4-5-14-37(32)25-22(27)21-19(15-20(29-24(21)36-25)23-28-10-13-35-23)18-8-6-17(7-9-18)16-34-26(31)33-12-11-30(2)3;1-3-4-7-26(24)15-9-17-16(14-8-13(2)22-12-14)11-19(23-18(17)10-15)20-21-5-6-25-20;1-3-4-7-26(23)17-10-15-14(13-8-12(2)21-11-13)9-16(22-18(15)24-17)19-20-5-6-25-19/h6-9,11,13,15H,4-5,10,12,14,16,27H2,1-3H3,(H,29,32);6-10,13,15H,4-5,11-12,14,16,27H2,1-3H3;5-6,9,11-12H,3-4,7-8,10H2,1-2H3;5-6,9-11H,3-4,7-8H2,1-2H3.

What are the key properties of [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine?

[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine has a molecular weight of 1885.57 g/mol, XLogP of 21.08, 34 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine is sourced from PubChem (CID 159811397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).