5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide

C51H52ClN17O6S4 — CID 160715385

About 5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide

5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 160715385) has the molecular formula C51H52ClN17O6S4 and a molecular weight of 1162.81 g/mol. Its IUPAC name is 5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

• Compound Name: 5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide
• PubChem CID: 160715385
• Molecular Formula: C51H52ClN17O6S4
• Molecular Weight: 1162.81 g/mol
• Exact Mass: 1161.29
• IUPAC Name: 5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide
• SMILES: Clc1ccc2ncc(-c3cnn(CCN4CCOCC4)c3)cc2n1.Nc1nnc(S(=O)(=O)Cc2ccccc2)s1.O=S(=O)(Nc1ccccc1)c1nnc(Nc2ccc3ncc(-c4cnn(CCN5CCOCC5)c4)cc3n2)s1
• InChI: InChI=1S/C25H25N9O3S2.C17H18ClN5O.C9H9N3O2S2/c35-39(36,32-20-4-2-1-3-5-20)25-31-30-24(38-25)29-23-7-6-21-22(28-23)14-18(15-26-21)19-16-27-34(17-19)9-8-33-10-12-37-13-11-33;18-17-2-1-15-16(21-17)9-13(10-19-15)14-11-20-23(12-14)4-3-22-5-7-24-8-6-22;10-8-11-12-9(15-8)16(13,14)6-7-4-2-1-3-5-7/h1-7,14-17,32H,8-13H2,(H,28,29,30);1-2,9-12H,3-8H2;1-5H,6H2,(H2,10,11)
• InChIKey: RSJYNVDDAFRYCG-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 282.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1162.81
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide?

The IUPAC name of 5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide (CID 160715385) is 5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide.

What is the SMILES notation for 5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide?

The canonical SMILES for 5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide is Clc1ccc2ncc(-c3cnn(CCN4CCOCC4)c3)cc2n1.Nc1nnc(S(=O)(=O)Cc2ccccc2)s1.O=S(=O)(Nc1ccccc1)c1nnc(Nc2ccc3ncc(-c4cnn(CCN5CCOCC5)c4)cc3n2)s1.

What is the InChIKey of 5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide?

The InChIKey is RSJYNVDDAFRYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N9O3S2.C17H18ClN5O.C9H9N3O2S2/c35-39(36,32-20-4-2-1-3-5-20)25-31-30-24(38-25)29-23-7-6-21-22(28-23)14-18(15-26-21)19-16-27-34(17-19)9-8-33-10-12-37-13-11-33;18-17-2-1-15-16(21-17)9-13(10-19-15)14-11-20-23(12-14)4-3-22-5-7-24-8-6-22;10-8-11-12-9(15-8)16(13,14)6-7-4-2-1-3-5-7/h1-7,14-17,32H,8-13H2,(H,28,29,30);1-2,9-12H,3-8H2;1-5H,6H2,(H2,10,11).

What are the key properties of 5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide?

5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 1162.81 g/mol, XLogP of 6.79, 16 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzylsulfonyl-1,3,4-thiadiazol-2-amine;4-[2-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]ethyl]morpholine;5-[[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]amino]-N-phenyl-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 160715385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).