2-[(3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3S)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-5,5-dimethyl-2H-pyrrol-4-yl)thieno[2,3-b]pyridin-4-amine

C132H142N24O2S12 — CID 157428948

About 2-[(3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3S)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-5,5-dimethyl-2H-pyrrol-4-yl)thieno[2,3-b]pyridin-4-amine

2-[(3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3S)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-5,5-dimethyl-2H-pyrrol-4-yl)thieno[2,3-b]pyridin-4-amine (PubChem CID 157428948) has the molecular formula C132H142N24O2S12 and a molecular weight of 2481.56 g/mol. Its IUPAC name is 2-[(3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3S)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-5,5-dimethyl-2H-pyrrol-4-yl)thieno[2,3-b]pyridin-4-amine.

Molecular Properties

• Compound Name: 2-[(3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3S)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-5,5-dimethyl-2H-pyrrol-4-yl)thieno[2,3-b]pyridin-4-amine
• PubChem CID: 157428948
• Molecular Formula: C132H142N24O2S12
• Molecular Weight: 2481.56 g/mol
• Exact Mass: 2478.84
• IUPAC Name: 2-[(3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3S)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-5,5-dimethyl-2H-pyrrol-4-yl)thieno[2,3-b]pyridin-4-amine
• SMILES: CC1(C)C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCN1CCO.CC1(C)[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCN1CCO.CCN1CC=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1(C)C.CCN1CCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1(C)C.CCN1CC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1(C)C.CCN1CC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1(C)C
• InChI: InChI=1S/2C22H24N4OS2.3C22H24N4S2.C22H22N4S2/c2*1-22(2)16(6-8-26(22)9-10-27)20-12-15-17(5-7-23-21(15)29-20)25-14-3-4-19-18(11-14)24-13-28-19;4*1-4-26-10-8-16(22(26,2)3)20-12-15-17(7-9-23-21(15)28-20)25-14-5-6-19-18(11-14)24-13-27-19/h2*3-5,7,11-13,16,27H,6,8-10H2,1-2H3,(H,23,25);3*5-7,9,11-13,16H,4,8,10H2,1-3H3,(H,23,25);5-9,11-13H,4,10H2,1-3H3,(H,23,25)/t16-;;2*16-;;/m0.10../s1
• InChIKey: BQHKBYHKXPXFPL-HVQRIXIGSA-N
• XLogP: 35.28
• TPSA: 286.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2481.56
LogP ≤ 5	35.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3S)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-5,5-dimethyl-2H-pyrrol-4-yl)thieno[2,3-b]pyridin-4-amine?

The IUPAC name of 2-[(3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3S)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-5,5-dimethyl-2H-pyrrol-4-yl)thieno[2,3-b]pyridin-4-amine (CID 157428948) is 2-[(3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3S)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-5,5-dimethyl-2H-pyrrol-4-yl)thieno[2,3-b]pyridin-4-amine.

What is the SMILES notation for 2-[(3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3S)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-5,5-dimethyl-2H-pyrrol-4-yl)thieno[2,3-b]pyridin-4-amine?

The canonical SMILES for 2-[(3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3S)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-5,5-dimethyl-2H-pyrrol-4-yl)thieno[2,3-b]pyridin-4-amine is CC1(C)C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCN1CCO.CC1(C)[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)CCN1CCO.CCN1CC=C(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1(C)C.CCN1CCC(c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1(C)C.CCN1CC[C@@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1(C)C.CCN1CC[C@H](c2cc3c(Nc4ccc5scnc5c4)ccnc3s2)C1(C)C.

What is the InChIKey of 2-[(3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3S)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-5,5-dimethyl-2H-pyrrol-4-yl)thieno[2,3-b]pyridin-4-amine?

The InChIKey is BQHKBYHKXPXFPL-HVQRIXIGSA-N. The full InChI is InChI=1S/2C22H24N4OS2.3C22H24N4S2.C22H22N4S2/c2*1-22(2)16(6-8-26(22)9-10-27)20-12-15-17(5-7-23-21(15)29-20)25-14-3-4-19-18(11-14)24-13-28-19;4*1-4-26-10-8-16(22(26,2)3)20-12-15-17(7-9-23-21(15)28-20)25-14-5-6-19-18(11-14)24-13-27-19/h2*3-5,7,11-13,16,27H,6,8-10H2,1-2H3,(H,23,25);3*5-7,9,11-13,16H,4,8,10H2,1-3H3,(H,23,25);5-9,11-13H,4,10H2,1-3H3,(H,23,25)/t16-;;2*16-;;/m0.10../s1.

What are the key properties of 2-[(3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3S)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-5,5-dimethyl-2H-pyrrol-4-yl)thieno[2,3-b]pyridin-4-amine?

2-[(3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3S)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-5,5-dimethyl-2H-pyrrol-4-yl)thieno[2,3-b]pyridin-4-amine has a molecular weight of 2481.56 g/mol, XLogP of 35.28, 26 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;2-[3-[4-(1,3-benzothiazol-5-ylamino)thieno[2,3-b]pyridin-2-yl]-2,2-dimethylpyrrolidin-1-yl]ethanol;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3R)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-[(3S)-1-ethyl-2,2-dimethylpyrrolidin-3-yl]thieno[2,3-b]pyridin-4-amine;N-(1,3-benzothiazol-5-yl)-2-(1-ethyl-5,5-dimethyl-2H-pyrrol-4-yl)thieno[2,3-b]pyridin-4-amine is sourced from PubChem (CID 157428948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).