4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole

C20H16FN3S2 — CID 18228999

IUPAC4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(CSc3ncc(-c4ccc(F)cc4)[nH]3)cs2)cc1
InChIInChI=1S/C20H16FN3S2/c1-13-2-4-15(5-3-13)19-23-17(11-25-19)12-26-20-22-10-18(24-20)14-6-8-16(21)9-7-14/h2-11H,12H2,1H3,(H,22,24)
InChIKeyDYUNWMLJUZNDPY-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.94
Rot. Bonds5

About 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole

4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole (PubChem CID 18228999) has the molecular formula C20H16FN3S2 and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
PubChem CID18228999
Molecular FormulaC20H16FN3S2
Molecular Weight381.50 g/mol
Exact Mass381.08
IUPAC Name4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(CSc3ncc(-c4ccc(F)cc4)[nH]3)cs2)cc1
InChIInChI=1S/C20H16FN3S2/c1-13-2-4-15(5-3-13)19-23-17(11-25-19)12-26-20-22-10-18(24-20)14-6-8-16(21)9-7-14/h2-11H,12H2,1H3,(H,22,24)
InChIKeyDYUNWMLJUZNDPY-UHFFFAOYSA-N
XLogP5.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole (CID 18228999) is 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2nc(CSc3ncc(-c4ccc(F)cc4)[nH]3)cs2)cc1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole?
The InChIKey is DYUNWMLJUZNDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3S2/c1-13-2-4-15(5-3-13)19-23-17(11-25-19)12-26-20-22-10-18(24-20)14-6-8-16(21)9-7-14/h2-11H,12H2,1H3,(H,22,24).
What are the key properties of 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole?
4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole has a molecular weight of 381.50 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 18228999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).