4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol

C20H18FN3O2S — CID 135575359

IUPAC4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol
SMILESC=CC/N=c1\scc(-c2ccccc2F)n1N=C(C)c1ccc(O)cc1O
InChIInChI=1S/C20H18FN3O2S/c1-3-10-22-20-24(18(12-27-20)16-6-4-5-7-17(16)21)23-13(2)15-9-8-14(25)11-19(15)26/h3-9,11-12,25-26H,1,10H2,2H3/b22-20-,23-13?
InChIKeyJTIDJBCCCGMFOA-JKSDFIRWSA-N
MW383.45 g/mol
LogP4.13
Rot. Bonds5

About 4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol

4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol (PubChem CID 135575359) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol
PubChem CID135575359
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol
SMILESC=CC/N=c1\scc(-c2ccccc2F)n1N=C(C)c1ccc(O)cc1O
InChIInChI=1S/C20H18FN3O2S/c1-3-10-22-20-24(18(12-27-20)16-6-4-5-7-17(16)21)23-13(2)15-9-8-14(25)11-19(15)26/h3-9,11-12,25-26H,1,10H2,2H3/b22-20-,23-13?
InChIKeyJTIDJBCCCGMFOA-JKSDFIRWSA-N
XLogP4.13
TPSA70.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol 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 4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol?
The IUPAC name of 4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol (CID 135575359) is 4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol is C=CC/N=c1\scc(-c2ccccc2F)n1N=C(C)c1ccc(O)cc1O.
What is the InChIKey of 4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol?
The InChIKey is JTIDJBCCCGMFOA-JKSDFIRWSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-3-10-22-20-24(18(12-27-20)16-6-4-5-7-17(16)21)23-13(2)15-9-8-14(25)11-19(15)26/h3-9,11-12,25-26H,1,10H2,2H3/b22-20-,23-13?.
What are the key properties of 4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol?
4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol has a molecular weight of 383.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-[4-(2-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 135575359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).