cyclopropanecarbaldehyde;ethane;2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-(methylamino)-1,3-thiazole-4-carboxamide

C26H36N4O4S — CID 145143258

About cyclopropanecarbaldehyde;ethane;2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-(methylamino)-1,3-thiazole-4-carboxamide

cyclopropanecarbaldehyde;ethane;2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-(methylamino)-1,3-thiazole-4-carboxamide (PubChem CID 145143258) has the molecular formula C26H36N4O4S and a molecular weight of 500.67 g/mol. Its IUPAC name is cyclopropanecarbaldehyde;ethane;2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-(methylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: cyclopropanecarbaldehyde;ethane;2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-(methylamino)-1,3-thiazole-4-carboxamide
• PubChem CID: 145143258
• Molecular Formula: C26H36N4O4S
• Molecular Weight: 500.67 g/mol
• Exact Mass: 500.25
• IUPAC Name: cyclopropanecarbaldehyde;ethane;2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-(methylamino)-1,3-thiazole-4-carboxamide
• SMILES: CC.CC.CNc1sc(-c2cccc(C#CC3(O)CCN(C)C3=O)c2)nc1C(N)=O.O=CC1CC1
• InChI: InChI=1S/C18H18N4O3S.C4H6O.2C2H6/c1-20-16-13(14(19)23)21-15(26-16)12-5-3-4-11(10-12)6-7-18(25)8-9-22(2)17(18)24;5-3-4-1-2-4;2*1-2/h3-5,10,20,25H,8-9H2,1-2H3,(H2,19,23);3-4H,1-2H2;2*1-2H3
• InChIKey: GWDVDWLRSKXMAO-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 125.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.67
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbaldehyde;ethane;2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-(methylamino)-1,3-thiazole-4-carboxamide?

The IUPAC name of cyclopropanecarbaldehyde;ethane;2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-(methylamino)-1,3-thiazole-4-carboxamide (CID 145143258) is cyclopropanecarbaldehyde;ethane;2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-(methylamino)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for cyclopropanecarbaldehyde;ethane;2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-(methylamino)-1,3-thiazole-4-carboxamide?

The canonical SMILES for cyclopropanecarbaldehyde;ethane;2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-(methylamino)-1,3-thiazole-4-carboxamide is CC.CC.CNc1sc(-c2cccc(C#CC3(O)CCN(C)C3=O)c2)nc1C(N)=O.O=CC1CC1.

What is the InChIKey of cyclopropanecarbaldehyde;ethane;2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-(methylamino)-1,3-thiazole-4-carboxamide?

The InChIKey is GWDVDWLRSKXMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S.C4H6O.2C2H6/c1-20-16-13(14(19)23)21-15(26-16)12-5-3-4-11(10-12)6-7-18(25)8-9-22(2)17(18)24;5-3-4-1-2-4;2*1-2/h3-5,10,20,25H,8-9H2,1-2H3,(H2,19,23);3-4H,1-2H2;2*1-2H3.

What are the key properties of cyclopropanecarbaldehyde;ethane;2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-(methylamino)-1,3-thiazole-4-carboxamide?

cyclopropanecarbaldehyde;ethane;2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-(methylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 500.67 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanecarbaldehyde;ethane;2-[3-[2-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl]phenyl]-5-(methylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 145143258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).