1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C13H13F2N3O2S — CID 86842073

IUPAC1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)Nc2ccccc2OC(F)F)s1
InChIInChI=1S/C13H13F2N3O2S/c1-8-16-6-9(21-8)7-17-13(19)18-10-4-2-3-5-11(10)20-12(14)15/h2-6,12H,7H2,1H3,(H2,17,18,19)
InChIKeyGWVWBJNJIFHHOF-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.37
Rot. Bonds5

About 1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 86842073) has the molecular formula C13H13F2N3O2S and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID86842073
Molecular FormulaC13H13F2N3O2S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC Name1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)Nc2ccccc2OC(F)F)s1
InChIInChI=1S/C13H13F2N3O2S/c1-8-16-6-9(21-8)7-17-13(19)18-10-4-2-3-5-11(10)20-12(14)15/h2-6,12H,7H2,1H3,(H2,17,18,19)
InChIKeyGWVWBJNJIFHHOF-UHFFFAOYSA-N
XLogP3.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 86842073) is 1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncc(CNC(=O)Nc2ccccc2OC(F)F)s1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is GWVWBJNJIFHHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2S/c1-8-16-6-9(21-8)7-17-13(19)18-10-4-2-3-5-11(10)20-12(14)15/h2-6,12H,7H2,1H3,(H2,17,18,19).
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 313.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 86842073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).