2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide

C17H26N4O3S — CID 3723389

IUPAC2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide
SMILESCCCCOCCOCC(=O)Nc1cnn(CCc2scnc2C)c1
InChIInChI=1S/C17H26N4O3S/c1-3-4-7-23-8-9-24-12-17(22)20-15-10-19-21(11-15)6-5-16-14(2)18-13-25-16/h10-11,13H,3-9,12H2,1-2H3,(H,20,22)
InChIKeyIPWMNJKNAJSUTL-UHFFFAOYSA-N
MW366.49 g/mol
LogP2.66
Rot. Bonds12

About 2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide

2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide (PubChem CID 3723389) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide
PubChem CID3723389
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide
SMILESCCCCOCCOCC(=O)Nc1cnn(CCc2scnc2C)c1
InChIInChI=1S/C17H26N4O3S/c1-3-4-7-23-8-9-24-12-17(22)20-15-10-19-21(11-15)6-5-16-14(2)18-13-25-16/h10-11,13H,3-9,12H2,1-2H3,(H,20,22)
InChIKeyIPWMNJKNAJSUTL-UHFFFAOYSA-N
XLogP2.66
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide (CID 3723389) is 2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide is CCCCOCCOCC(=O)Nc1cnn(CCc2scnc2C)c1.
What is the InChIKey of 2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide?
The InChIKey is IPWMNJKNAJSUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-3-4-7-23-8-9-24-12-17(22)20-15-10-19-21(11-15)6-5-16-14(2)18-13-25-16/h10-11,13H,3-9,12H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide?
2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide has a molecular weight of 366.49 g/mol, XLogP of 2.66, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-N-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 3723389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).