1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea

C18H12FN3O2S — CID 30349446

IUPAC1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C18H12FN3O2S/c19-12-5-7-13(8-6-12)20-17(23)22-18-21-14(10-25-18)16-9-11-3-1-2-4-15(11)24-16/h1-10H,(H2,20,21,22,23)
InChIKeyOUOCPZYVSOBKET-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.34
Rot. Bonds3

About 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea

1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea (PubChem CID 30349446) has the molecular formula C18H12FN3O2S and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
PubChem CID30349446
Molecular FormulaC18H12FN3O2S
Molecular Weight353.38 g/mol
Exact Mass353.06
IUPAC Name1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)Nc1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C18H12FN3O2S/c19-12-5-7-13(8-6-12)20-17(23)22-18-21-14(10-25-18)16-9-11-3-1-2-4-15(11)24-16/h1-10H,(H2,20,21,22,23)
InChIKeyOUOCPZYVSOBKET-UHFFFAOYSA-N
XLogP5.34
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea (CID 30349446) is 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)Nc1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea?
The InChIKey is OUOCPZYVSOBKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S/c19-12-5-7-13(8-6-12)20-17(23)22-18-21-14(10-25-18)16-9-11-3-1-2-4-15(11)24-16/h1-10H,(H2,20,21,22,23).
What are the key properties of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea?
1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea has a molecular weight of 353.38 g/mol, XLogP of 5.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 30349446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).