1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea

C14H13F2N3O2S — CID 9242399

IUPAC1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea
SMILESO=C(N/N=C\c1ccc(CSC(F)F)o1)Nc1ccccc1
InChIInChI=1S/C14H13F2N3O2S/c15-13(16)22-9-12-7-6-11(21-12)8-17-19-14(20)18-10-4-2-1-3-5-10/h1-8,13H,9H2,(H2,18,19,20)/b17-8-
InChIKeyZQYGLDICNYTNRU-IUXPMGMMSA-N
MW325.34 g/mol
LogP3.89
Rot. Bonds6

About 1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea

1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea (PubChem CID 9242399) has the molecular formula C14H13F2N3O2S and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea.

Molecular Properties

Compound Name1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea
PubChem CID9242399
Molecular FormulaC14H13F2N3O2S
Molecular Weight325.34 g/mol
Exact Mass325.07
IUPAC Name1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea
SMILESO=C(N/N=C\c1ccc(CSC(F)F)o1)Nc1ccccc1
InChIInChI=1S/C14H13F2N3O2S/c15-13(16)22-9-12-7-6-11(21-12)8-17-19-14(20)18-10-4-2-1-3-5-10/h1-8,13H,9H2,(H2,18,19,20)/b17-8-
InChIKeyZQYGLDICNYTNRU-IUXPMGMMSA-N
XLogP3.89
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide
CID 9016448
N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883901
1-[(E)-[5-[[(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-3-phenylurea
CID 133225256
1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 958480
methyl 2-[5-[(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 4271764
butyl 4-[5-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 126069847
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172
1-[(4-methylsulfanylphenyl)methylideneamino]-3-phenylurea
CID 807471
1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 1379769
4-chloro-3-[5-[(E)-(phenylcarbamoylhydrazinylidene)methyl]furan-2-yl]benzoate
CID 172958492
1-(4-chlorophenyl)-3-[(E)-[5-(3-fluorophenyl)furan-2-yl]methylideneamino]urea
CID 126027035
1-[(Z)-(2-bromophenyl)methylideneamino]-3-phenylurea
CID 5415699

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea?
The IUPAC name of 1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea (CID 9242399) is 1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea.
What is the SMILES notation for 1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea?
The canonical SMILES for 1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea is O=C(N/N=C\c1ccc(CSC(F)F)o1)Nc1ccccc1.
What is the InChIKey of 1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea?
The InChIKey is ZQYGLDICNYTNRU-IUXPMGMMSA-N. The full InChI is InChI=1S/C14H13F2N3O2S/c15-13(16)22-9-12-7-6-11(21-12)8-17-19-14(20)18-10-4-2-1-3-5-10/h1-8,13H,9H2,(H2,18,19,20)/b17-8-.
What are the key properties of 1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea?
1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea has a molecular weight of 325.34 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea is sourced from PubChem (CID 9242399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).