[2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexanecarbonyl] 2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate

C35H43N5O5S2 — CID 87311046

About [2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexanecarbonyl] 2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate

[2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexanecarbonyl] 2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate (PubChem CID 87311046) has the molecular formula C35H43N5O5S2 and a molecular weight of 677.89 g/mol. Its IUPAC name is [2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexanecarbonyl] 2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: [2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexanecarbonyl] 2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate
• PubChem CID: 87311046
• Molecular Formula: C35H43N5O5S2
• Molecular Weight: 677.89 g/mol
• Exact Mass: 677.27
• IUPAC Name: [2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexanecarbonyl] 2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate
• SMILES: Cc1ccc(-c2nc(NC(=O)C3CCCCC3C(=O)OC(=O)C3CCCCC3C(=O)Nc3nnc(C4CCCCC4)s3)sc2C)cc1
• InChI: InChI=1S/C35H43N5O5S2/c1-20-16-18-22(19-17-20)28-21(2)46-34(36-28)37-29(41)24-12-6-8-14-26(24)32(43)45-33(44)27-15-9-7-13-25(27)30(42)38-35-40-39-31(47-35)23-10-4-3-5-11-23/h16-19,23-27H,3-15H2,1-2H3,(H,36,37,41)(H,38,40,42)
• InChIKey: XNSNSNHTNBPSFJ-UHFFFAOYSA-N
• XLogP: 7.59
• TPSA: 140.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.89
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexanecarbonyl] 2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate?

The IUPAC name of [2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexanecarbonyl] 2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate (CID 87311046) is [2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexanecarbonyl] 2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate.

What is the SMILES notation for [2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexanecarbonyl] 2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate?

The canonical SMILES for [2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexanecarbonyl] 2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate is Cc1ccc(-c2nc(NC(=O)C3CCCCC3C(=O)OC(=O)C3CCCCC3C(=O)Nc3nnc(C4CCCCC4)s3)sc2C)cc1.

What is the InChIKey of [2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexanecarbonyl] 2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate?

The InChIKey is XNSNSNHTNBPSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N5O5S2/c1-20-16-18-22(19-17-20)28-21(2)46-34(36-28)37-29(41)24-12-6-8-14-26(24)32(43)45-33(44)27-15-9-7-13-25(27)30(42)38-35-40-39-31(47-35)23-10-4-3-5-11-23/h16-19,23-27H,3-15H2,1-2H3,(H,36,37,41)(H,38,40,42).

What are the key properties of [2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexanecarbonyl] 2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate?

[2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexanecarbonyl] 2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate has a molecular weight of 677.89 g/mol, XLogP of 7.59, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-cyclohexyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclohexanecarbonyl] 2-[[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 87311046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).