N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide

C110H122N34O15S5 — CID 159711074

About N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide

N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 159711074) has the molecular formula C110H122N34O15S5 and a molecular weight of 2320.74 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 159711074
• Molecular Formula: C110H122N34O15S5
• Molecular Weight: 2320.74 g/mol
• Exact Mass: 2318.84
• IUPAC Name: N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
• SMILES: COc1cc2c(cc1OC)C(=O)N(c1nnc(C(=O)Nc3cnccc3N(C)CCN)s1)C2.COc1cc2c(cc1OC)C(=O)N(c1nnc(C(=O)Nc3cnccc3OCCN)s1)C2.COc1cccc(C2CC(=O)N(c3nnc(C(=O)Nc4cnccc4N4CCNCC4)s3)C2)c1.COc1cccc(C2CCN(c3nnc(C(=O)Nc4cnccc4N4CCNCC4)s3)C2)c1.O=C(Nc1cnccc1N1CCNCC1)c1nnc(N2CCC(c3ccccc3)CC2)s1
• InChI: InChI=1S/C23H25N7O3S.C23H27N7O2S.C23H27N7OS.C21H23N7O4S.C20H20N6O5S/c1-33-17-4-2-3-15(11-17)16-12-20(31)30(14-16)23-28-27-22(34-23)21(32)26-18-13-25-6-5-19(18)29-9-7-24-8-10-29;1-32-18-4-2-3-16(13-18)17-6-10-30(15-17)23-28-27-22(33-23)21(31)26-19-14-25-7-5-20(19)29-11-8-24-9-12-29;31-21(26-19-16-25-9-6-20(19)29-14-10-24-11-15-29)22-27-28-23(32-22)30-12-7-18(8-13-30)17-4-2-1-3-5-17;1-27(7-5-22)15-4-6-23-10-14(15)24-18(29)19-25-26-21(33-19)28-11-12-8-16(31-2)17(32-3)9-13(12)20(28)30;1-29-15-7-11-10-26(19(28)12(11)8-16(15)30-2)20-25-24-18(32-20)17(27)23-13-9-22-5-3-14(13)31-6-4-21/h2-6,11,13,16,24H,7-10,12,14H2,1H3,(H,26,32);2-5,7,13-14,17,24H,6,8-12,15H2,1H3,(H,26,31);1-6,9,16,18,24H,7-8,10-15H2,(H,26,31);4,6,8-10H,5,7,11,22H2,1-3H3,(H,24,29);3,5,7-9H,4,6,10,21H2,1-2H3,(H,23,27)
• InChIKey: MYVPSISMIKPXOJ-UHFFFAOYSA-N
• XLogP: 11.16
• TPSA: 571.96 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 46
• Rotatable Bonds: 33
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2320.74
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide (CID 159711074) is N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1nnc(C(=O)Nc3cnccc3N(C)CCN)s1)C2.COc1cc2c(cc1OC)C(=O)N(c1nnc(C(=O)Nc3cnccc3OCCN)s1)C2.COc1cccc(C2CC(=O)N(c3nnc(C(=O)Nc4cnccc4N4CCNCC4)s3)C2)c1.COc1cccc(C2CCN(c3nnc(C(=O)Nc4cnccc4N4CCNCC4)s3)C2)c1.O=C(Nc1cnccc1N1CCNCC1)c1nnc(N2CCC(c3ccccc3)CC2)s1.

What is the InChIKey of N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is MYVPSISMIKPXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3S.C23H27N7O2S.C23H27N7OS.C21H23N7O4S.C20H20N6O5S/c1-33-17-4-2-3-15(11-17)16-12-20(31)30(14-16)23-28-27-22(34-23)21(32)26-18-13-25-6-5-19(18)29-9-7-24-8-10-29;1-32-18-4-2-3-16(13-18)17-6-10-30(15-17)23-28-27-22(33-23)21(31)26-19-14-25-7-5-20(19)29-11-8-24-9-12-29;31-21(26-19-16-25-9-6-20(19)29-14-10-24-11-15-29)22-27-28-23(32-22)30-12-7-18(8-13-30)17-4-2-1-3-5-17;1-27(7-5-22)15-4-6-23-10-14(15)24-18(29)19-25-26-21(33-19)28-11-12-8-16(31-2)17(32-3)9-13(12)20(28)30;1-29-15-7-11-10-26(19(28)12(11)8-16(15)30-2)20-25-24-18(32-20)17(27)23-13-9-22-5-3-14(13)31-6-4-21/h2-6,11,13,16,24H,7-10,12,14H2,1H3,(H,26,32);2-5,7,13-14,17,24H,6,8-12,15H2,1H3,(H,26,31);1-6,9,16,18,24H,7-8,10-15H2,(H,26,31);4,6,8-10H,5,7,11,22H2,1-3H3,(H,24,29);3,5,7-9H,4,6,10,21H2,1-2H3,(H,23,27).

What are the key properties of N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?

N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 2320.74 g/mol, XLogP of 11.16, 33 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3,4-thiadiazole-2-carboxamide;5-[4-(3-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide;5-(4-phenylpiperidin-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 159711074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).