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

C16H16FN3S2 — CID 46573002

IUPAC4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(CSc2ncc(-c3ccc(F)cc3)[nH]2)cs1
InChIInChI=1S/C16H16FN3S2/c1-2-3-15-19-13(9-21-15)10-22-16-18-8-14(20-16)11-4-6-12(17)7-5-11/h4-9H,2-3,10H2,1H3,(H,18,20)
InChIKeyDZBRKQLGHSFJJD-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.92
Rot. Bonds6

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

4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-propyl-1,3-thiazole (PubChem CID 46573002) has the molecular formula C16H16FN3S2 and a molecular weight of 333.46 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-propyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-propyl-1,3-thiazole
PubChem CID46573002
Molecular FormulaC16H16FN3S2
Molecular Weight333.46 g/mol
Exact Mass333.08
IUPAC Name4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-propyl-1,3-thiazole
SMILESCCCc1nc(CSc2ncc(-c3ccc(F)cc3)[nH]2)cs1
InChIInChI=1S/C16H16FN3S2/c1-2-3-15-19-13(9-21-15)10-22-16-18-8-14(20-16)11-4-6-12(17)7-5-11/h4-9H,2-3,10H2,1H3,(H,18,20)
InChIKeyDZBRKQLGHSFJJD-UHFFFAOYSA-N
XLogP4.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.92
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-propyl-1,3-thiazole?
The IUPAC name of 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-propyl-1,3-thiazole (CID 46573002) is 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-propyl-1,3-thiazole.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-propyl-1,3-thiazole?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-propyl-1,3-thiazole is CCCc1nc(CSc2ncc(-c3ccc(F)cc3)[nH]2)cs1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-propyl-1,3-thiazole?
The InChIKey is DZBRKQLGHSFJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S2/c1-2-3-15-19-13(9-21-15)10-22-16-18-8-14(20-16)11-4-6-12(17)7-5-11/h4-9H,2-3,10H2,1H3,(H,18,20).
What are the key properties of 4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-propyl-1,3-thiazole?
4-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]-2-propyl-1,3-thiazole has a molecular weight of 333.46 g/mol, XLogP of 4.92, 6 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-propyl-1,3-thiazole is sourced from PubChem (CID 46573002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).