1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea

C15H13F2N5OS — CID 71802236

IUPAC1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1csc(-n2cccn2)n1)Nc1c(F)cccc1F
InChIInChI=1S/C15H13F2N5OS/c16-11-3-1-4-12(17)13(11)21-14(23)18-7-5-10-9-24-15(20-10)22-8-2-6-19-22/h1-4,6,8-9H,5,7H2,(H2,18,21,23)
InChIKeyUFMKLBIJDBTEHL-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.97
Rot. Bonds5

About 1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea

1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 71802236) has the molecular formula C15H13F2N5OS and a molecular weight of 349.37 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID71802236
Molecular FormulaC15H13F2N5OS
Molecular Weight349.37 g/mol
Exact Mass349.08
IUPAC Name1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea
SMILESO=C(NCCc1csc(-n2cccn2)n1)Nc1c(F)cccc1F
InChIInChI=1S/C15H13F2N5OS/c16-11-3-1-4-12(17)13(11)21-14(23)18-7-5-10-9-24-15(20-10)22-8-2-6-19-22/h1-4,6,8-9H,5,7H2,(H2,18,21,23)
InChIKeyUFMKLBIJDBTEHL-UHFFFAOYSA-N
XLogP2.97
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea (CID 71802236) is 1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea is O=C(NCCc1csc(-n2cccn2)n1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is UFMKLBIJDBTEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5OS/c16-11-3-1-4-12(17)13(11)21-14(23)18-7-5-10-9-24-15(20-10)22-8-2-6-19-22/h1-4,6,8-9H,5,7H2,(H2,18,21,23).
What are the key properties of 1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea?
1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 349.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 71802236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).