acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(1,3-thiazol-2-yl)formamide

C26H37N11O2S — CID 143752043

About acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(1,3-thiazol-2-yl)formamide

acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(1,3-thiazol-2-yl)formamide (PubChem CID 143752043) has the molecular formula C26H37N11O2S and a molecular weight of 567.72 g/mol. Its IUPAC name is acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(1,3-thiazol-2-yl)formamide.

Molecular Properties

• Compound Name: acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(1,3-thiazol-2-yl)formamide
• PubChem CID: 143752043
• Molecular Formula: C26H37N11O2S
• Molecular Weight: 567.72 g/mol
• Exact Mass: 567.29
• IUPAC Name: acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(1,3-thiazol-2-yl)formamide
• SMILES: C#C.COCCN1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)n2)CC1.O=CNc1nccs1
• InChI: InChI=1S/C20H31N9O.C4H4N2OS.C2H2/c1-30-13-12-27-8-10-29(11-9-27)20-23-18(22-19(24-20)28-6-2-3-7-28)21-17-14-16(25-26-17)15-4-5-15;7-3-6-4-5-1-2-8-4;1-2/h14-15H,2-13H2,1H3,(H2,21,22,23,24,25,26);1-3H,(H,5,6,7);1-2H
• InChIKey: JCAGRZCTYYOCDX-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 140.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.72
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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 acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(1,3-thiazol-2-yl)formamide?

The IUPAC name of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(1,3-thiazol-2-yl)formamide (CID 143752043) is acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(1,3-thiazol-2-yl)formamide.

What is the SMILES notation for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(1,3-thiazol-2-yl)formamide?

The canonical SMILES for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(1,3-thiazol-2-yl)formamide is C#C.COCCN1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)n2)CC1.O=CNc1nccs1.

What is the InChIKey of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(1,3-thiazol-2-yl)formamide?

The InChIKey is JCAGRZCTYYOCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N9O.C4H4N2OS.C2H2/c1-30-13-12-27-8-10-29(11-9-27)20-23-18(22-19(24-20)28-6-2-3-7-28)21-17-14-16(25-26-17)15-4-5-15;7-3-6-4-5-1-2-8-4;1-2/h14-15H,2-13H2,1H3,(H2,21,22,23,24,25,26);1-3H,(H,5,6,7);1-2H.

What are the key properties of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(1,3-thiazol-2-yl)formamide?

acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(1,3-thiazol-2-yl)formamide has a molecular weight of 567.72 g/mol, XLogP of 2.55, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;N-(1,3-thiazol-2-yl)formamide is sourced from PubChem (CID 143752043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).