acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;ethene;N-(1,3-thiazol-2-yl)formamide

C25H30F4N10OS — CID 143752176

IUPACacetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;ethene;N-(1,3-thiazol-2-yl)formamide
SMILESC#C.C=C.FC1(F)CN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)n2)CC1(F)F.O=CNc1nccs1
InChIInChI=1S/C17H20F4N8.C4H4N2OS.C2H4.C2H2/c18-16(19)8-29(9-17(16,20)21)15-24-13(23-14(25-15)28-5-1-2-6-28)22-12-7-11(26-27-12)10-3-4-10;7-3-6-4-5-1-2-8-4;2*1-2/h7,10H,1-6,8-9H2,(H2,22,23,24,25,26,27);1-3H,(H,5,6,7);1-2H2;1-2H
InChIKeyIOHWAXPWMXKNJB-UHFFFAOYSA-N
MW594.64 g/mol
LogP4.67
Rot. Bonds7

About acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-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-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;ethene;N-(1,3-thiazol-2-yl)formamide (PubChem CID 143752176) has the molecular formula C25H30F4N10OS and a molecular weight of 594.64 g/mol. Its IUPAC name is acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-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-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;ethene;N-(1,3-thiazol-2-yl)formamide
PubChem CID143752176
Molecular FormulaC25H30F4N10OS
Molecular Weight594.64 g/mol
Exact Mass594.23
IUPAC Nameacetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;ethene;N-(1,3-thiazol-2-yl)formamide
SMILESC#C.C=C.FC1(F)CN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)n2)CC1(F)F.O=CNc1nccs1
InChIInChI=1S/C17H20F4N8.C4H4N2OS.C2H4.C2H2/c18-16(19)8-29(9-17(16,20)21)15-24-13(23-14(25-15)28-5-1-2-6-28)22-12-7-11(26-27-12)10-3-4-10;7-3-6-4-5-1-2-8-4;2*1-2/h7,10H,1-6,8-9H2,(H2,22,23,24,25,26,27);1-3H,(H,5,6,7);1-2H2;1-2H
InChIKeyIOHWAXPWMXKNJB-UHFFFAOYSA-N
XLogP4.67
TPSA127.85 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.64
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;ethene;N-(1,3-thiazol-2-yl)formamide with MolForge

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Related Compounds

(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]-4-hydroxy-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 59436396
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
1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(5-fluoro-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 143752188
2-(5-cyclopropyl-1H-pyrazol-4-yl)-N-pyrimidin-2-yl-1,3-thiazol-4-amine;N-pyrimidin-2-yl-2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-4-amine
CID 158123494
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 59436384
(S)-1-(4-Chloro-6-(3-cyclopropyl-1H-pyrazol-5-ylamino)-1,3,5-triazin-2-yl)-N-(thiazol-2-yl)pyrrolidine-2-carboxamide
CID 59436447
1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 72298583
1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 72298638
(2S)-1-[4-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]-2-methyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 89040721
acetylene;4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[(2S)-2-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine;ethene;N-(1,3-thiazol-2-yl)formamide
CID 143752021
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
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

Frequently Asked Questions

What is the IUPAC name of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-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-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;ethene;N-(1,3-thiazol-2-yl)formamide (CID 143752176) is acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-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-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-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-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;ethene;N-(1,3-thiazol-2-yl)formamide is C#C.C=C.FC1(F)CN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)n2)CC1(F)F.O=CNc1nccs1.
What is the InChIKey of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;ethene;N-(1,3-thiazol-2-yl)formamide?
The InChIKey is IOHWAXPWMXKNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4N8.C4H4N2OS.C2H4.C2H2/c18-16(19)8-29(9-17(16,20)21)15-24-13(23-14(25-15)28-5-1-2-6-28)22-12-7-11(26-27-12)10-3-4-10;7-3-6-4-5-1-2-8-4;2*1-2/h7,10H,1-6,8-9H2,(H2,22,23,24,25,26,27);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-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-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-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;ethene;N-(1,3-thiazol-2-yl)formamide has a molecular weight of 594.64 g/mol, XLogP of 4.67, 7 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-pyrrolidin-1-yl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-1,3,5-triazin-2-amine;ethene;N-(1,3-thiazol-2-yl)formamide is sourced from PubChem (CID 143752176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).