1-methyl-N-[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]piperidine-4-carboxamide

C20H29N7OS — CID 176723502

About 1-methyl-N-[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]piperidine-4-carboxamide

1-methyl-N-[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 176723502) has the molecular formula C20H29N7OS and a molecular weight of 415.57 g/mol. Its IUPAC name is 1-methyl-N-[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]piperidine-4-carboxamide
• PubChem CID: 176723502
• Molecular Formula: C20H29N7OS
• Molecular Weight: 415.57 g/mol
• Exact Mass: 415.22
• IUPAC Name: 1-methyl-N-[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]piperidine-4-carboxamide
• SMILES: Cc1cc(Nc2ncc(C)c(N3CC(C)(NC(=O)C4CCN(C)CC4)C3)n2)sn1
• InChI: InChI=1S/C20H29N7OS/c1-13-10-21-19(22-16-9-14(2)25-29-16)23-17(13)27-11-20(3,12-27)24-18(28)15-5-7-26(4)8-6-15/h9-10,15H,5-8,11-12H2,1-4H3,(H,24,28)(H,21,22,23)
• InChIKey: GOPGCJAFPFPQLA-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 86.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.57
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]piperidine-4-carboxamide?

The IUPAC name of 1-methyl-N-[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]piperidine-4-carboxamide (CID 176723502) is 1-methyl-N-[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-methyl-N-[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-methyl-N-[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]piperidine-4-carboxamide is Cc1cc(Nc2ncc(C)c(N3CC(C)(NC(=O)C4CCN(C)CC4)C3)n2)sn1.

What is the InChIKey of 1-methyl-N-[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]piperidine-4-carboxamide?

The InChIKey is GOPGCJAFPFPQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7OS/c1-13-10-21-19(22-16-9-14(2)25-29-16)23-17(13)27-11-20(3,12-27)24-18(28)15-5-7-26(4)8-6-15/h9-10,15H,5-8,11-12H2,1-4H3,(H,24,28)(H,21,22,23).

What are the key properties of 1-methyl-N-[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]piperidine-4-carboxamide?

1-methyl-N-[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 415.57 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[3-methyl-1-[5-methyl-2-[(3-methyl-1,2-thiazol-5-yl)amino]pyrimidin-4-yl]azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 176723502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).