2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

C23H33N5O3S — CID 134804157

About 2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 134804157) has the molecular formula C23H33N5O3S and a molecular weight of 459.62 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
• PubChem CID: 134804157
• Molecular Formula: C23H33N5O3S
• Molecular Weight: 459.62 g/mol
• Exact Mass: 459.23
• IUPAC Name: 2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(C)c(C(=O)NC2CCN(C(=O)N3CC4CC(C3)[C@H]3CCCC(=O)N3C4)CC2)s1
• InChI: InChI=1S/C23H33N5O3S/c1-14-21(32-15(2)24-14)22(30)25-18-6-8-26(9-7-18)23(31)27-11-16-10-17(13-27)19-4-3-5-20(29)28(19)12-16/h16-19H,3-13H2,1-2H3,(H,25,30)/t16?,17?,19-/m1/s1
• InChIKey: UMLRMEPBFPEFOK-FAFZWHIHSA-N
• XLogP: 2.41
• TPSA: 85.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.62
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide (CID 134804157) is 2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2CCN(C(=O)N3CC4CC(C3)[C@H]3CCCC(=O)N3C4)CC2)s1.

What is the InChIKey of 2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?

The InChIKey is UMLRMEPBFPEFOK-FAFZWHIHSA-N. The full InChI is InChI=1S/C23H33N5O3S/c1-14-21(32-15(2)24-14)22(30)25-18-6-8-26(9-7-18)23(31)27-11-16-10-17(13-27)19-4-3-5-20(29)28(19)12-16/h16-19H,3-13H2,1-2H3,(H,25,30)/t16?,17?,19-/m1/s1.

What are the key properties of 2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide?

2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 459.62 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134804157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).