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

C18H16F3N5OS — CID 139355702

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

(2R)-N-benzyl-1-[7-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 139355702) has the molecular formula C18H16F3N5OS and a molecular weight of 407.42 g/mol. Its IUPAC name is (2R)-N-benzyl-1-[7-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-benzyl-1-[7-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
• PubChem CID: 139355702
• Molecular Formula: C18H16F3N5OS
• Molecular Weight: 407.42 g/mol
• Exact Mass: 407.10
• IUPAC Name: (2R)-N-benzyl-1-[7-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
• SMILES: O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncnc(C(F)(F)F)c2s1
• InChI: InChI=1S/C18H16F3N5OS/c19-18(20,21)14-13-15(24-10-23-14)25-17(28-13)26-8-4-7-12(26)16(27)22-9-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H,22,27)/t12-/m1/s1
• InChIKey: VWDWIVZKJZUQSR-GFCCVEGCSA-N
• XLogP: 3.39
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.42
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2R)-N-benzyl-1-[7-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 139355702) is (2R)-N-benzyl-1-[7-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

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

The canonical SMILES for (2R)-N-benzyl-1-[7-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is O=C(NCc1ccccc1)[C@H]1CCCN1c1nc2ncnc(C(F)(F)F)c2s1.

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

The InChIKey is VWDWIVZKJZUQSR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16F3N5OS/c19-18(20,21)14-13-15(24-10-23-14)25-17(28-13)26-8-4-7-12(26)16(27)22-9-11-5-2-1-3-6-11/h1-3,5-6,10,12H,4,7-9H2,(H,22,27)/t12-/m1/s1.

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

(2R)-N-benzyl-1-[7-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-benzyl-1-[7-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 139355702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).