1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea

C16H11F2N3OS — CID 23555717

IUPAC1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESNC(=O)N(c1nc(-c2ccccc2)cs1)c1c(F)cccc1F
InChIInChI=1S/C16H11F2N3OS/c17-11-7-4-8-12(18)14(11)21(15(19)22)16-20-13(9-23-16)10-5-2-1-3-6-10/h1-9H,(H2,19,22)
InChIKeyVCTUCXIAWOMBKO-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.31
Rot. Bonds3

About 1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea

1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 23555717) has the molecular formula C16H11F2N3OS and a molecular weight of 331.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID23555717
Molecular FormulaC16H11F2N3OS
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea
SMILESNC(=O)N(c1nc(-c2ccccc2)cs1)c1c(F)cccc1F
InChIInChI=1S/C16H11F2N3OS/c17-11-7-4-8-12(18)14(11)21(15(19)22)16-20-13(9-23-16)10-5-2-1-3-6-10/h1-9H,(H2,19,22)
InChIKeyVCTUCXIAWOMBKO-UHFFFAOYSA-N
XLogP4.31
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea (CID 23555717) is 1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea is NC(=O)N(c1nc(-c2ccccc2)cs1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is VCTUCXIAWOMBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3OS/c17-11-7-4-8-12(18)14(11)21(15(19)22)16-20-13(9-23-16)10-5-2-1-3-6-10/h1-9H,(H2,19,22).
What are the key properties of 1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea?
1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 331.35 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 23555717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).