5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyridin-3-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

C94H124FN21O4S5 — CID 157248420

About 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyridin-3-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyridin-3-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 157248420) has the molecular formula C94H124FN21O4S5 and a molecular weight of 1791.50 g/mol. Its IUPAC name is 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyridin-3-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyridin-3-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
• PubChem CID: 157248420
• Molecular Formula: C94H124FN21O4S5
• Molecular Weight: 1791.50 g/mol
• Exact Mass: 1789.87
• IUPAC Name: 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyridin-3-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
• SMILES: CN(c1nnc(-c2ccc(-c3cn[nH]c3)cc2F)s1)C1CC(C)(C)NC(C)(C)C1.COc1cc(-c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(OC)c2)ccn1.COc1cc(-c2cccnc2)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.COc1cc(-c2sc(C)nc2C)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1
• InChI: InChI=1S/C25H33N5O2S.C24H33N5OS2.C24H31N5OS.C21H27FN6S/c1-24(2)14-18(15-25(3,4)29-24)30(5)23-28-27-22(33-23)19-9-8-16(12-20(19)31-6)17-10-11-26-21(13-17)32-7;1-14-20(31-15(2)25-14)16-9-10-18(19(11-16)30-8)21-26-27-22(32-21)29(7)17-12-23(3,4)28-24(5,6)13-17;1-23(2)13-18(14-24(3,4)28-23)29(5)22-27-26-21(31-22)19-10-9-16(12-20(19)30-6)17-8-7-11-25-15-17;1-20(2)9-15(10-21(3,4)27-20)28(5)19-26-25-18(29-19)16-7-6-13(8-17(16)22)14-11-23-24-12-14/h8-13,18,29H,14-15H2,1-7H3;9-11,17,28H,12-13H2,1-8H3;7-12,15,18,28H,13-14H2,1-6H3;6-8,11-12,15,27H,9-10H2,1-5H3,(H,23,24)
• InChIKey: AWBCJNIQNUKNNN-UHFFFAOYSA-N
• XLogP: 20.23
• TPSA: 268.47 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1791.50
LogP ≤ 5	20.23
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyridin-3-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?

The IUPAC name of 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyridin-3-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 157248420) is 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyridin-3-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyridin-3-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?

The canonical SMILES for 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyridin-3-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is CN(c1nnc(-c2ccc(-c3cn[nH]c3)cc2F)s1)C1CC(C)(C)NC(C)(C)C1.COc1cc(-c2ccc(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)c(OC)c2)ccn1.COc1cc(-c2cccnc2)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.COc1cc(-c2sc(C)nc2C)ccc1-c1nnc(N(C)C2CC(C)(C)NC(C)(C)C2)s1.

What is the InChIKey of 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyridin-3-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?

The InChIKey is AWBCJNIQNUKNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2S.C24H33N5OS2.C24H31N5OS.C21H27FN6S/c1-24(2)14-18(15-25(3,4)29-24)30(5)23-28-27-22(33-23)19-9-8-16(12-20(19)31-6)17-10-11-26-21(13-17)32-7;1-14-20(31-15(2)25-14)16-9-10-18(19(11-16)30-8)21-26-27-22(32-21)29(7)17-12-23(3,4)28-24(5,6)13-17;1-23(2)13-18(14-24(3,4)28-23)29(5)22-27-26-21(31-22)19-10-9-16(12-20(19)30-6)17-8-7-11-25-15-17;1-20(2)9-15(10-21(3,4)27-20)28(5)19-26-25-18(29-19)16-7-6-13(8-17(16)22)14-11-23-24-12-14/h8-13,18,29H,14-15H2,1-7H3;9-11,17,28H,12-13H2,1-8H3;7-12,15,18,28H,13-14H2,1-6H3;6-8,11-12,15,27H,9-10H2,1-5H3,(H,23,24).

What are the key properties of 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyridin-3-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?

5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyridin-3-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 1791.50 g/mol, XLogP of 20.23, 20 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methoxyphenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-methoxy-4-(2-methoxy-4-pyridinyl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-(2-methoxy-4-pyridin-3-ylphenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 157248420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).