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

C16H12FN3OS — CID 71498945

IUPAC1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylurea
SMILESNC(=O)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C16H12FN3OS/c17-12-8-6-11(7-9-12)14-10-22-16(19-14)20(15(18)21)13-4-2-1-3-5-13/h1-10H,(H2,18,21)
InChIKeyLZWOHZFICHRGHR-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.17
Rot. Bonds3

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

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylurea (PubChem CID 71498945) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylurea.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylurea
PubChem CID71498945
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylurea
SMILESNC(=O)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C16H12FN3OS/c17-12-8-6-11(7-9-12)14-10-22-16(19-14)20(15(18)21)13-4-2-1-3-5-13/h1-10H,(H2,18,21)
InChIKeyLZWOHZFICHRGHR-UHFFFAOYSA-N
XLogP4.17
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylurea?
The IUPAC name of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylurea (CID 71498945) is 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylurea.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylurea?
The canonical SMILES for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylurea is NC(=O)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylurea?
The InChIKey is LZWOHZFICHRGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-12-8-6-11(7-9-12)14-10-22-16(19-14)20(15(18)21)13-4-2-1-3-5-13/h1-10H,(H2,18,21).
What are the key properties of 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylurea?
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylurea has a molecular weight of 313.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylurea is sourced from PubChem (CID 71498945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).