1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea

C15H14FN5O2S — CID 154876349

IUPAC1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea
SMILESCCOc1ccc(NC(=O)Nc2cn[nH]c2-c2nccs2)c(F)c1
InChIInChI=1S/C15H14FN5O2S/c1-2-23-9-3-4-11(10(16)7-9)19-15(22)20-12-8-18-21-13(12)14-17-5-6-24-14/h3-8H,2H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyVVRBEIKQLWRMKU-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.71
Rot. Bonds5

About 1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea

1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea (PubChem CID 154876349) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea
PubChem CID154876349
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC Name1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea
SMILESCCOc1ccc(NC(=O)Nc2cn[nH]c2-c2nccs2)c(F)c1
InChIInChI=1S/C15H14FN5O2S/c1-2-23-9-3-4-11(10(16)7-9)19-15(22)20-12-8-18-21-13(12)14-17-5-6-24-14/h3-8H,2H2,1H3,(H,18,21)(H2,19,20,22)
InChIKeyVVRBEIKQLWRMKU-UHFFFAOYSA-N
XLogP3.71
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea?
The IUPAC name of 1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea (CID 154876349) is 1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea.
What is the SMILES notation for 1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea?
The canonical SMILES for 1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea is CCOc1ccc(NC(=O)Nc2cn[nH]c2-c2nccs2)c(F)c1.
What is the InChIKey of 1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea?
The InChIKey is VVRBEIKQLWRMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c1-2-23-9-3-4-11(10(16)7-9)19-15(22)20-12-8-18-21-13(12)14-17-5-6-24-14/h3-8H,2H2,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of 1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea?
1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea has a molecular weight of 347.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-fluorophenyl)-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea is sourced from PubChem (CID 154876349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).