1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea

C12H17N5O2S — CID 71802241

IUPAC1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESCOCCNC(=O)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C12H17N5O2S/c1-19-8-6-14-11(18)13-5-3-10-9-20-12(16-10)17-7-2-4-15-17/h2,4,7,9H,3,5-6,8H2,1H3,(H2,13,14,18)
InChIKeyIOEOUWVCRYMZQC-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.82
Rot. Bonds7

About 1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea

1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 71802241) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID71802241
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESCOCCNC(=O)NCCc1csc(-n2cccn2)n1
InChIInChI=1S/C12H17N5O2S/c1-19-8-6-14-11(18)13-5-3-10-9-20-12(16-10)17-7-2-4-15-17/h2,4,7,9H,3,5-6,8H2,1H3,(H2,13,14,18)
InChIKeyIOEOUWVCRYMZQC-UHFFFAOYSA-N
XLogP0.82
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea (CID 71802241) is 1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea is COCCNC(=O)NCCc1csc(-n2cccn2)n1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is IOEOUWVCRYMZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-19-8-6-14-11(18)13-5-3-10-9-20-12(16-10)17-7-2-4-15-17/h2,4,7,9H,3,5-6,8H2,1H3,(H2,13,14,18).
What are the key properties of 1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 295.37 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 71802241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).