N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide

C26H32N6OS — CID 135319718

About N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide

N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 135319718) has the molecular formula C26H32N6OS and a molecular weight of 476.65 g/mol. Its IUPAC name is N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 135319718
• Molecular Formula: C26H32N6OS
• Molecular Weight: 476.65 g/mol
• Exact Mass: 476.24
• IUPAC Name: N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
• SMILES: O=C(NCc1ccccc1)C1CCCN1c1nc2nc(CN3CCCCC3)nc(C3CC3)c2s1
• InChI: InChI=1S/C26H32N6OS/c33-25(27-16-18-8-3-1-4-9-18)20-10-7-15-32(20)26-30-24-23(34-26)22(19-11-12-19)28-21(29-24)17-31-13-5-2-6-14-31/h1,3-4,8-9,19-20H,2,5-7,10-17H2,(H,27,33)
• InChIKey: GIUFZHYFBQHDSE-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.65
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 135319718) is N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1)C1CCCN1c1nc2nc(CN3CCCCC3)nc(C3CC3)c2s1.

What is the InChIKey of N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is GIUFZHYFBQHDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6OS/c33-25(27-16-18-8-3-1-4-9-18)20-10-7-15-32(20)26-30-24-23(34-26)22(19-11-12-19)28-21(29-24)17-31-13-5-2-6-14-31/h1,3-4,8-9,19-20H,2,5-7,10-17H2,(H,27,33).

What are the key properties of N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?

N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 476.65 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-[7-cyclopropyl-5-(piperidin-1-ylmethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 135319718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).