5-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)cyclohexa-1,3-diene-1-carboxamide

C24H23F4N5O4S — CID 142796005

About 5-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)cyclohexa-1,3-diene-1-carboxamide

5-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 142796005) has the molecular formula C24H23F4N5O4S and a molecular weight of 553.54 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)cyclohexa-1,3-diene-1-carboxamide
• PubChem CID: 142796005
• Molecular Formula: C24H23F4N5O4S
• Molecular Weight: 553.54 g/mol
• Exact Mass: 553.14
• IUPAC Name: 5-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)cyclohexa-1,3-diene-1-carboxamide
• SMILES: NC(=O)C1=CC=C(OC(F)(F)F)C(NC(=O)C2(N3CCOCC3)CC2)(c2nnc(-c3ccc(F)cc3)s2)C1
• InChI: InChI=1S/C24H23F4N5O4S/c25-16-4-1-14(2-5-16)19-31-32-21(38-19)23(13-15(18(29)34)3-6-17(23)37-24(26,27)28)30-20(35)22(7-8-22)33-9-11-36-12-10-33/h1-6H,7-13H2,(H2,29,34)(H,30,35)
• InChIKey: KLAJTMZJNKMCIZ-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 119.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.54
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)cyclohexa-1,3-diene-1-carboxamide?

The IUPAC name of 5-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)cyclohexa-1,3-diene-1-carboxamide (CID 142796005) is 5-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)cyclohexa-1,3-diene-1-carboxamide.

What is the SMILES notation for 5-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)cyclohexa-1,3-diene-1-carboxamide?

The canonical SMILES for 5-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)cyclohexa-1,3-diene-1-carboxamide is NC(=O)C1=CC=C(OC(F)(F)F)C(NC(=O)C2(N3CCOCC3)CC2)(c2nnc(-c3ccc(F)cc3)s2)C1.

What is the InChIKey of 5-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)cyclohexa-1,3-diene-1-carboxamide?

The InChIKey is KLAJTMZJNKMCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N5O4S/c25-16-4-1-14(2-5-16)19-31-32-21(38-19)23(13-15(18(29)34)3-6-17(23)37-24(26,27)28)30-20(35)22(7-8-22)33-9-11-36-12-10-33/h1-6H,7-13H2,(H2,29,34)(H,30,35).

What are the key properties of 5-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)cyclohexa-1,3-diene-1-carboxamide?

5-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 553.54 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-5-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 142796005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).