1-[4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;1-[(4R)-4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;N-(1,3-benzothiazol-5-yl)-2-(1-ethylazepan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-methylazepan-4-yl]thieno[2,3-b]pyridin-4-amine

C131H138N24O2S12 — CID 158137879

About 1-[4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;1-[(4R)-4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;N-(1,3-benzothiazol-5-yl)-2-(1-ethylazepan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-methylazepan-4-yl]thieno[2,3-b]pyridin-4-amine

1-[4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;1-[(4R)-4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;N-(1,3-benzothiazol-5-yl)-2-(1-ethylazepan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-methylazepan-4-yl]thieno[2,3-b]pyridin-4-amine (PubChem CID 158137879) has the molecular formula C131H138N24O2S12 and a molecular weight of 2465.51 g/mol. Its IUPAC name is 1-[4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;1-[(4R)-4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;N-(1,3-benzothiazol-5-yl)-2-(1-ethylazepan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-methylazepan-4-yl]thieno[2,3-b]pyridin-4-amine.

Molecular Properties

• Compound Name: 1-[4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;1-[(4R)-4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;N-(1,3-benzothiazol-5-yl)-2-(1-ethylazepan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-methylazepan-4-yl]thieno[2,3-b]pyridin-4-amine
• PubChem CID: 158137879
• Molecular Formula: C131H138N24O2S12
• Molecular Weight: 2465.51 g/mol
• Exact Mass: 2462.81
• IUPAC Name: 1-[4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;1-[(4R)-4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;N-(1,3-benzothiazol-5-yl)-2-(1-ethylazepan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-methylazepan-4-yl]thieno[2,3-b]pyridin-4-amine
• SMILES: CC(=O)N1CCCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CC1.CC(=O)N1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CC1.CCN1CCCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CC1.CCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CC1.CCN1CCC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CC1.CN1CCC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CC1
• InChI: InChI=1S/2C22H22N4OS2.3C22H24N4S2.C21H22N4S2/c2*1-14(27)26-9-2-3-15(7-10-26)21-12-17-18(6-8-23-22(17)29-21)25-16-4-5-20-19(11-16)24-13-28-20;3*1-2-26-10-3-4-15(8-11-26)21-13-17-18(7-9-23-22(17)28-21)25-16-5-6-20-19(12-16)24-14-27-20;1-25-9-2-3-14(7-10-25)20-12-16-17(6-8-22-21(16)27-20)24-15-4-5-19-18(11-15)23-13-26-19/h2*4-6,8,11-13,15H,2-3,7,9-10H2,1H3,(H,23,25);3*5-7,9,12-15H,2-4,8,10-11H2,1H3,(H,23,25);4-6,8,11-14H,2-3,7,9-10H2,1H3,(H,22,24)/t15-;;2*15-;;14-/m1.10.0/s1
• InChIKey: FTOOMALVQVYNNG-NYPXNTJPSA-N
• XLogP: 36.10
• TPSA: 280.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 21
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2465.51
LogP ≤ 5	36.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;1-[(4R)-4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;N-(1,3-benzothiazol-5-yl)-2-(1-ethylazepan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-methylazepan-4-yl]thieno[2,3-b]pyridin-4-amine?

The IUPAC name of 1-[4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;1-[(4R)-4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;N-(1,3-benzothiazol-5-yl)-2-(1-ethylazepan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-methylazepan-4-yl]thieno[2,3-b]pyridin-4-amine (CID 158137879) is 1-[4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;1-[(4R)-4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;N-(1,3-benzothiazol-5-yl)-2-(1-ethylazepan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-methylazepan-4-yl]thieno[2,3-b]pyridin-4-amine.

What is the SMILES notation for 1-[4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;1-[(4R)-4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;N-(1,3-benzothiazol-5-yl)-2-(1-ethylazepan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-methylazepan-4-yl]thieno[2,3-b]pyridin-4-amine?

The canonical SMILES for 1-[4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;1-[(4R)-4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;N-(1,3-benzothiazol-5-yl)-2-(1-ethylazepan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-methylazepan-4-yl]thieno[2,3-b]pyridin-4-amine is CC(=O)N1CCCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CC1.CC(=O)N1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CC1.CCN1CCCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CC1.CCN1CCC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CC1.CCN1CCC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CC1.CN1CCC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CC1.

What is the InChIKey of 1-[4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;1-[(4R)-4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;N-(1,3-benzothiazol-5-yl)-2-(1-ethylazepan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-methylazepan-4-yl]thieno[2,3-b]pyridin-4-amine?

The InChIKey is FTOOMALVQVYNNG-NYPXNTJPSA-N. The full InChI is InChI=1S/2C22H22N4OS2.3C22H24N4S2.C21H22N4S2/c2*1-14(27)26-9-2-3-15(7-10-26)21-12-17-18(6-8-23-22(17)29-21)25-16-4-5-20-19(11-16)24-13-28-20;3*1-2-26-10-3-4-15(8-11-26)21-13-17-18(7-9-23-22(17)28-21)25-16-5-6-20-19(12-16)24-14-27-20;1-25-9-2-3-14(7-10-25)20-12-16-17(6-8-22-21(16)27-20)24-15-4-5-19-18(11-15)23-13-26-19/h2*4-6,8,11-13,15H,2-3,7,9-10H2,1H3,(H,23,25);3*5-7,9,12-15H,2-4,8,10-11H2,1H3,(H,23,25);4-6,8,11-14H,2-3,7,9-10H2,1H3,(H,22,24)/t15-;;2*15-;;14-/m1.10.0/s1.

What are the key properties of 1-[4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;1-[(4R)-4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;N-(1,3-benzothiazol-5-yl)-2-(1-ethylazepan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-methylazepan-4-yl]thieno[2,3-b]pyridin-4-amine?

1-[4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;1-[(4R)-4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;N-(1,3-benzothiazol-5-yl)-2-(1-ethylazepan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-methylazepan-4-yl]thieno[2,3-b]pyridin-4-amine has a molecular weight of 2465.51 g/mol, XLogP of 36.10, 21 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;1-[(4R)-4-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]azepan-1-yl]ethanone;N-(1,3-benzothiazol-5-yl)-2-(1-ethylazepan-4-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4R)-1-ethylazepan-4-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(4S)-1-methylazepan-4-yl]thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 158137879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).