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;ethene;N-(1,3-thiazol-2-yl)formamide

C28H41N11O2S — CID 143752048

IUPACacetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethene;N-(1,3-thiazol-2-yl)formamide
SMILESC#C.C=C.COCCN1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)n2)CC1.O=CNc1nccs1
InChIInChI=1S/C20H31N9O.C4H4N2OS.C2H4.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;2*1-2/h14-15H,2-13H2,1H3,(H2,21,22,23,24,25,26);1-3H,(H,5,6,7);1-2H2;1-2H
InChIKeyFBVMBJONRWOWBZ-UHFFFAOYSA-N
MW595.78 g/mol
LogP3.35
Rot. Bonds10

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;ethene;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;ethene;N-(1,3-thiazol-2-yl)formamide (PubChem CID 143752048) has the molecular formula C28H41N11O2S and a molecular weight of 595.78 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;ethene;N-(1,3-thiazol-2-yl)formamide.

Molecular Properties

Compound Nameacetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethene;N-(1,3-thiazol-2-yl)formamide
PubChem CID143752048
Molecular FormulaC28H41N11O2S
Molecular Weight595.78 g/mol
Exact Mass595.32
IUPAC Nameacetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-[4-(2-methoxyethyl)piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethene;N-(1,3-thiazol-2-yl)formamide
SMILESC#C.C=C.COCCN1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)n2)CC1.O=CNc1nccs1
InChIInChI=1S/C20H31N9O.C4H4N2OS.C2H4.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;2*1-2/h14-15H,2-13H2,1H3,(H2,21,22,23,24,25,26);1-3H,(H,5,6,7);1-2H2;1-2H
InChIKeyFBVMBJONRWOWBZ-UHFFFAOYSA-N
XLogP3.35
TPSA140.32 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.78
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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;ethene;N-(1,3-thiazol-2-yl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;ethene;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;ethene;N-(1,3-thiazol-2-yl)formamide (CID 143752048) 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;ethene;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;ethene;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;ethene;N-(1,3-thiazol-2-yl)formamide is C#C.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;ethene;N-(1,3-thiazol-2-yl)formamide?
The InChIKey is FBVMBJONRWOWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N9O.C4H4N2OS.C2H4.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;2*1-2/h14-15H,2-13H2,1H3,(H2,21,22,23,24,25,26);1-3H,(H,5,6,7);1-2H2;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;ethene;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;ethene;N-(1,3-thiazol-2-yl)formamide has a molecular weight of 595.78 g/mol, XLogP of 3.35, 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;ethene;N-(1,3-thiazol-2-yl)formamide is sourced from PubChem (CID 143752048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).