2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

C20H29N5OS — CID 97269710

About 2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 97269710) has the molecular formula C20H29N5OS and a molecular weight of 387.55 g/mol. Its IUPAC name is 2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 97269710
• Molecular Formula: C20H29N5OS
• Molecular Weight: 387.55 g/mol
• Exact Mass: 387.21
• IUPAC Name: 2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
• SMILES: CC(C)(C(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1)N1CCCC1
• InChI: InChI=1S/C20H29N5OS/c1-20(2,25-9-3-4-10-25)19(26)24-8-5-6-16(12-24)18-21-7-11-23(18)13-17-14-27-15-22-17/h7,11,14-16H,3-6,8-10,12-13H2,1-2H3/t16-/m1/s1
• InChIKey: HYYMXNWQNWFCPM-MRXNPFEDSA-N
• XLogP: 2.97
• TPSA: 54.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.55
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of 2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (CID 97269710) is 2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is CC(C)(C(=O)N1CCC[C@@H](c2nccn2Cc2cscn2)C1)N1CCCC1.

What is the InChIKey of 2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?

The InChIKey is HYYMXNWQNWFCPM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N5OS/c1-20(2,25-9-3-4-10-25)19(26)24-8-5-6-16(12-24)18-21-7-11-23(18)13-17-14-27-15-22-17/h7,11,14-16H,3-6,8-10,12-13H2,1-2H3/t16-/m1/s1.

What are the key properties of 2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?

2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 387.55 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97269710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).