1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea

C14H10F3N3O2S — CID 142495609

IUPAC1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESO=C(NCc1coc2ccccc12)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)11-6-19-13(23-11)20-12(21)18-5-8-7-22-10-4-2-1-3-9(8)10/h1-4,6-7H,5H2,(H2,18,19,20,21)
InChIKeyYKMXEVLTZPDMGQ-UHFFFAOYSA-N
MW341.31 g/mol
LogP4.23
Rot. Bonds3

About 1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea

1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea (PubChem CID 142495609) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is 1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
PubChem CID142495609
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC Name1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESO=C(NCc1coc2ccccc12)Nc1ncc(C(F)(F)F)s1
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)11-6-19-13(23-11)20-12(21)18-5-8-7-22-10-4-2-1-3-9(8)10/h1-4,6-7H,5H2,(H2,18,19,20,21)
InChIKeyYKMXEVLTZPDMGQ-UHFFFAOYSA-N
XLogP4.23
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea (CID 142495609) is 1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea is O=C(NCc1coc2ccccc12)Nc1ncc(C(F)(F)F)s1.
What is the InChIKey of 1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is YKMXEVLTZPDMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c15-14(16,17)11-6-19-13(23-11)20-12(21)18-5-8-7-22-10-4-2-1-3-9(8)10/h1-4,6-7H,5H2,(H2,18,19,20,21).
What are the key properties of 1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 341.31 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-ylmethyl)-3-[5-(trifluoromethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 142495609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).