5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one

C102H96N22O7S6 — CID 159529558

About 5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one

5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one (PubChem CID 159529558) has the molecular formula C102H96N22O7S6 and a molecular weight of 1934.44 g/mol. Its IUPAC name is 5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one.

Molecular Properties

• Compound Name: 5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one
• PubChem CID: 159529558
• Molecular Formula: C102H96N22O7S6
• Molecular Weight: 1934.44 g/mol
• Exact Mass: 1932.62
• IUPAC Name: 5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one
• SMILES: O=c1[nH]nc(-c2ccc(CN3CCC[C@@H]3c3ccc4cccnc4n3)cc2)s1.O=c1[nH]nc(-c2ccc(CN3CCC[C@@H]3c3ccc4scnc4c3)cc2)s1.O=c1[nH]nc(-c2ccc(CN3CCC[C@@H]3c3cnc4c(c3)OCC4)cc2)s1.O=c1[nH]nc(-c2ccc(CN3CCC[C@H]3c3ccc4cccnc4n3)cc2)s1.O=c1[nH]nc(-c2ccc(CN3CCC[C@H]3c3cnc4c(c3)OCC4)cc2)s1
• InChI: InChI=1S/2C21H19N5OS.2C20H20N4O2S.C20H18N4OS2/c2*27-21-25-24-20(28-21)16-7-5-14(6-8-16)13-26-12-2-4-18(26)17-10-9-15-3-1-11-22-19(15)23-17;2*25-20-23-22-19(27-20)14-5-3-13(4-6-14)12-24-8-1-2-17(24)15-10-18-16(21-11-15)7-9-26-18;25-20-23-22-19(27-20)14-5-3-13(4-6-14)11-24-9-1-2-17(24)15-7-8-18-16(10-15)21-12-26-18/h2*1,3,5-11,18H,2,4,12-13H2,(H,25,27);2*3-6,10-11,17H,1-2,7-9,12H2,(H,23,25);3-8,10,12,17H,1-2,9,11H2,(H,23,25)/t2*18-;3*17-/m10101/s1
• InChIKey: MCUXHMJCCPEUAF-AXJFCYIKSA-N
• XLogP: 18.33
• TPSA: 353.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1934.44
LogP ≤ 5	18.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one?

The IUPAC name of 5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one (CID 159529558) is 5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one.

What is the SMILES notation for 5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one?

The canonical SMILES for 5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one is O=c1[nH]nc(-c2ccc(CN3CCC[C@@H]3c3ccc4cccnc4n3)cc2)s1.O=c1[nH]nc(-c2ccc(CN3CCC[C@@H]3c3ccc4scnc4c3)cc2)s1.O=c1[nH]nc(-c2ccc(CN3CCC[C@@H]3c3cnc4c(c3)OCC4)cc2)s1.O=c1[nH]nc(-c2ccc(CN3CCC[C@H]3c3ccc4cccnc4n3)cc2)s1.O=c1[nH]nc(-c2ccc(CN3CCC[C@H]3c3cnc4c(c3)OCC4)cc2)s1.

What is the InChIKey of 5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one?

The InChIKey is MCUXHMJCCPEUAF-AXJFCYIKSA-N. The full InChI is InChI=1S/2C21H19N5OS.2C20H20N4O2S.C20H18N4OS2/c2*27-21-25-24-20(28-21)16-7-5-14(6-8-16)13-26-12-2-4-18(26)17-10-9-15-3-1-11-22-19(15)23-17;2*25-20-23-22-19(27-20)14-5-3-13(4-6-14)12-24-8-1-2-17(24)15-10-18-16(21-11-15)7-9-26-18;25-20-23-22-19(27-20)14-5-3-13(4-6-14)11-24-9-1-2-17(24)15-7-8-18-16(10-15)21-12-26-18/h2*1,3,5-11,18H,2,4,12-13H2,(H,25,27);2*3-6,10-11,17H,1-2,7-9,12H2,(H,23,25);3-8,10,12,17H,1-2,9,11H2,(H,23,25)/t2*18-;3*17-/m10101/s1.

What are the key properties of 5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one?

5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one has a molecular weight of 1934.44 g/mol, XLogP of 18.33, 20 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2S)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one;5-[4-[[(2R)-2-(1,8-naphthyridin-2-yl)pyrrolidin-1-yl]methyl]phenyl]-3H-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 159529558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).