N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide

C22H25N5O4S — CID 144949526

About N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide

N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide (PubChem CID 144949526) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide
• PubChem CID: 144949526
• Molecular Formula: C22H25N5O4S
• Molecular Weight: 455.54 g/mol
• Exact Mass: 455.16
• IUPAC Name: N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide
• SMILES: Cc1ncc(-c2cnc(C(=O)NC(C(=O)N3CC[C@H]4OCC(=O)[C@H]43)C3CCCC3)s2)cn1
• InChI: InChI=1S/C22H25N5O4S/c1-12-23-8-14(9-24-12)17-10-25-21(32-17)20(29)26-18(13-4-2-3-5-13)22(30)27-7-6-16-19(27)15(28)11-31-16/h8-10,13,16,18-19H,2-7,11H2,1H3,(H,26,29)/t16-,18?,19-/m1/s1
• InChIKey: VUNJGWWMTZBVOY-LPZUGFHBSA-N
• XLogP: 1.77
• TPSA: 114.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.54
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide (CID 144949526) is N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide is Cc1ncc(-c2cnc(C(=O)NC(C(=O)N3CC[C@H]4OCC(=O)[C@H]43)C3CCCC3)s2)cn1.

What is the InChIKey of N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide?

The InChIKey is VUNJGWWMTZBVOY-LPZUGFHBSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-12-23-8-14(9-24-12)17-10-25-21(32-17)20(29)26-18(13-4-2-3-5-13)22(30)27-7-6-16-19(27)15(28)11-31-16/h8-10,13,16,18-19H,2-7,11H2,1H3,(H,26,29)/t16-,18?,19-/m1/s1.

What are the key properties of N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide?

N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclopentyl-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 144949526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).