1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea

C20H19FN2O2S — CID 10177184

IUPAC1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea
SMILESCSc1ccc(/C=C2/C(C)=C(CN(O)C(N)=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C20H19FN2O2S/c1-12-17(9-13-3-6-15(26-2)7-4-13)16-8-5-14(21)10-18(16)19(12)11-23(25)20(22)24/h3-10,25H,11H2,1-2H3,(H2,22,24)/b17-9-
InChIKeyPWLCYDJCHJRLKC-MFOYZWKCSA-N
MW370.45 g/mol
LogP4.65
Rot. Bonds4

About 1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea

1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea (PubChem CID 10177184) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea
PubChem CID10177184
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea
SMILESCSc1ccc(/C=C2/C(C)=C(CN(O)C(N)=O)c3cc(F)ccc32)cc1
InChIInChI=1S/C20H19FN2O2S/c1-12-17(9-13-3-6-15(26-2)7-4-13)16-8-5-14(21)10-18(16)19(12)11-23(25)20(22)24/h3-10,25H,11H2,1-2H3,(H2,22,24)/b17-9-
InChIKeyPWLCYDJCHJRLKC-MFOYZWKCSA-N
XLogP4.65
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea 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-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea?
The IUPAC name of 1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea (CID 10177184) is 1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea?
The canonical SMILES for 1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea is CSc1ccc(/C=C2/C(C)=C(CN(O)C(N)=O)c3cc(F)ccc32)cc1.
What is the InChIKey of 1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea?
The InChIKey is PWLCYDJCHJRLKC-MFOYZWKCSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-12-17(9-13-3-6-15(26-2)7-4-13)16-8-5-14(21)10-18(16)19(12)11-23(25)20(22)24/h3-10,25H,11H2,1-2H3,(H2,22,24)/b17-9-.
What are the key properties of 1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea?
1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea has a molecular weight of 370.45 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]methyl]-1-hydroxyurea is sourced from PubChem (CID 10177184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).