(5S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C26H25N5O3S — CID 40737395

About (5S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(5S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 40737395) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is (5S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (5S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 40737395
• Molecular Formula: C26H25N5O3S
• Molecular Weight: 487.59 g/mol
• Exact Mass: 487.17
• IUPAC Name: (5S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: CCn1ncc(C=c2sc3n(c2=O)[C@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1C
• InChI: InChI=1S/C26H25N5O3S/c1-5-30-17(4)18(14-27-30)13-21-25(33)31-23(20-12-11-15(2)34-20)22(16(3)28-26(31)35-21)24(32)29-19-9-7-6-8-10-19/h6-14,23H,5H2,1-4H3,(H,29,32)/t23-/m1/s1
• InChIKey: VAQPEECRUQTINJ-HSZRJFAPSA-N
• XLogP: 3.30
• TPSA: 94.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.59
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (5S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 40737395) is (5S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (5S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (5S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCn1ncc(C=c2sc3n(c2=O)[C@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2)=C(C)N=3)c1C.

What is the InChIKey of (5S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is VAQPEECRUQTINJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H25N5O3S/c1-5-30-17(4)18(14-27-30)13-21-25(33)31-23(20-12-11-15(2)34-20)22(16(3)28-26(31)35-21)24(32)29-19-9-7-6-8-10-19/h6-14,23H,5H2,1-4H3,(H,29,32)/t23-/m1/s1.

What are the key properties of (5S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

(5S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 487.59 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-2-[(1-ethyl-5-methylpyrazol-4-yl)methylidene]-7-methyl-5-(5-methylfuran-2-yl)-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 40737395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).