acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-(1,3-thiazol-2-yl)acetamide

C29H40F2N10OS — CID 143752023

About acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-(1,3-thiazol-2-yl)acetamide

acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-(1,3-thiazol-2-yl)acetamide (PubChem CID 143752023) has the molecular formula C29H40F2N10OS and a molecular weight of 614.77 g/mol. Its IUPAC name is acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 143752023
• Molecular Formula: C29H40F2N10OS
• Molecular Weight: 614.77 g/mol
• Exact Mass: 614.31
• IUPAC Name: acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-(1,3-thiazol-2-yl)acetamide
• SMILES: C#C.C#C.CC.CC(=O)Nc1nccs1.FC1(F)CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)n2)CC1
• InChI: InChI=1S/C18H24F2N8.C5H6N2OS.C2H6.2C2H2/c19-18(20)5-9-28(10-6-18)17-23-15(22-16(24-17)27-7-1-2-8-27)21-14-11-13(25-26-14)12-3-4-12;1-4(8)7-5-6-2-3-9-5;3*1-2/h11-12H,1-10H2,(H2,21,22,23,24,25,26);2-3H,1H3,(H,6,7,8);1-2H3;2*1-2H
• InChIKey: AJWSZAOGWGCNEN-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 127.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.77
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'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-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-(1,3-thiazol-2-yl)acetamide (CID 143752023) is acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-(1,3-thiazol-2-yl)acetamide is C#C.C#C.CC.CC(=O)Nc1nccs1.FC1(F)CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)n2)CC1.

What is the InChIKey of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is AJWSZAOGWGCNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N8.C5H6N2OS.C2H6.2C2H2/c19-18(20)5-9-28(10-6-18)17-23-15(22-16(24-17)27-7-1-2-8-27)21-14-11-13(25-26-14)12-3-4-12;1-4(8)7-5-6-2-3-9-5;3*1-2/h11-12H,1-10H2,(H2,21,22,23,24,25,26);2-3H,1H3,(H,6,7,8);1-2H3;2*1-2H.

What are the key properties of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-(1,3-thiazol-2-yl)acetamide?

acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 614.77 g/mol, XLogP of 5.68, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 143752023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).