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

C20H21N5OS — CID 135319603

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

N-benzyl-1-(7-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 135319603) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-benzyl-1-(7-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-1-(7-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
• PubChem CID: 135319603
• Molecular Formula: C20H21N5OS
• Molecular Weight: 379.49 g/mol
• Exact Mass: 379.15
• IUPAC Name: N-benzyl-1-(7-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
• SMILES: O=C(NCc1ccccc1)C1CCCN1c1nc2ncnc(C3CC3)c2s1
• InChI: InChI=1S/C20H21N5OS/c26-19(21-11-13-5-2-1-3-6-13)15-7-4-10-25(15)20-24-18-17(27-20)16(14-8-9-14)22-12-23-18/h1-3,5-6,12,14-15H,4,7-11H2,(H,21,26)
• InChIKey: BAMSMEKFVVFCAD-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.49
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-benzyl-1-(7-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 135319603) is N-benzyl-1-(7-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

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

The canonical SMILES for N-benzyl-1-(7-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide is O=C(NCc1ccccc1)C1CCCN1c1nc2ncnc(C3CC3)c2s1.

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

The InChIKey is BAMSMEKFVVFCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-19(21-11-13-5-2-1-3-6-13)15-7-4-10-25(15)20-24-18-17(27-20)16(14-8-9-14)22-12-23-18/h1-3,5-6,12,14-15H,4,7-11H2,(H,21,26).

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

N-benzyl-1-(7-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-(7-cyclopropyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 135319603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).