ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide

C29H43N7O3S2 — CID 144971794

About ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide

ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide (PubChem CID 144971794) has the molecular formula C29H43N7O3S2 and a molecular weight of 601.84 g/mol. Its IUPAC name is ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 144971794
• Molecular Formula: C29H43N7O3S2
• Molecular Weight: 601.84 g/mol
• Exact Mass: 601.29
• IUPAC Name: ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide
• SMILES: CC.CO.Cc1csc(-c2nc(NC(=O)c3cnc(N4CCN(CCC=O)CC4)cn3)sc2CN2CCCC2C)c1
• InChI: InChI=1S/C26H33N7O2S2.C2H6.CH4O/c1-18-13-21(36-17-18)24-22(16-33-7-3-5-19(33)2)37-26(29-24)30-25(35)20-14-28-23(15-27-20)32-10-8-31(9-11-32)6-4-12-34;2*1-2/h12-15,17,19H,3-11,16H2,1-2H3,(H,29,30,35);1-2H3;2H,1H3
• InChIKey: GLTDRMKMZGPDGZ-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 114.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.84
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide (CID 144971794) is ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide is CC.CO.Cc1csc(-c2nc(NC(=O)c3cnc(N4CCN(CCC=O)CC4)cn3)sc2CN2CCCC2C)c1.

What is the InChIKey of ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide?

The InChIKey is GLTDRMKMZGPDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2S2.C2H6.CH4O/c1-18-13-21(36-17-18)24-22(16-33-7-3-5-19(33)2)37-26(29-24)30-25(35)20-14-28-23(15-27-20)32-10-8-31(9-11-32)6-4-12-34;2*1-2/h12-15,17,19H,3-11,16H2,1-2H3,(H,29,30,35);1-2H3;2H,1H3.

What are the key properties of ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide?

ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide has a molecular weight of 601.84 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 144971794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).