5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione

C15H11FN2O2S2 — CID 137249238

IUPAC5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione
SMILESOc1c(/C=N/c2ccccc2F)sc(=S)n1Cc1ccco1
InChIInChI=1S/C15H11FN2O2S2/c16-11-5-1-2-6-12(11)17-8-13-14(19)18(15(21)22-13)9-10-4-3-7-20-10/h1-8,19H,9H2/b17-8+
InChIKeyFNQFTYHEXQXNSG-CAOOACKPSA-N
MW334.40 g/mol
LogP4.52
Rot. Bonds4

About 5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione

5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione (PubChem CID 137249238) has the molecular formula C15H11FN2O2S2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione
PubChem CID137249238
Molecular FormulaC15H11FN2O2S2
Molecular Weight334.40 g/mol
Exact Mass334.02
IUPAC Name5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione
SMILESOc1c(/C=N/c2ccccc2F)sc(=S)n1Cc1ccco1
InChIInChI=1S/C15H11FN2O2S2/c16-11-5-1-2-6-12(11)17-8-13-14(19)18(15(21)22-13)9-10-4-3-7-20-10/h1-8,19H,9H2/b17-8+
InChIKeyFNQFTYHEXQXNSG-CAOOACKPSA-N
XLogP4.52
TPSA50.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione?
The IUPAC name of 5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione (CID 137249238) is 5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione.
What is the SMILES notation for 5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione?
The canonical SMILES for 5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione is Oc1c(/C=N/c2ccccc2F)sc(=S)n1Cc1ccco1.
What is the InChIKey of 5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione?
The InChIKey is FNQFTYHEXQXNSG-CAOOACKPSA-N. The full InChI is InChI=1S/C15H11FN2O2S2/c16-11-5-1-2-6-12(11)17-8-13-14(19)18(15(21)22-13)9-10-4-3-7-20-10/h1-8,19H,9H2/b17-8+.
What are the key properties of 5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione?
5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione has a molecular weight of 334.40 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)iminomethyl]-3-(furan-2-ylmethyl)-4-hydroxy-1,3-thiazole-2-thione is sourced from PubChem (CID 137249238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).