2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole

C18H14FN5OS2 — CID 9408745

IUPAC2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
SMILESCOc1ccc(-n2nnnc2SCc2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H14FN5OS2/c1-25-16-8-6-15(7-9-16)24-18(21-22-23-24)27-11-14-10-26-17(20-14)12-2-4-13(19)5-3-12/h2-10H,11H2,1H3
InChIKeyUWXCHILSNXLDLN-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.23
Rot. Bonds6

About 2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole

2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole (PubChem CID 9408745) has the molecular formula C18H14FN5OS2 and a molecular weight of 399.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
PubChem CID9408745
Molecular FormulaC18H14FN5OS2
Molecular Weight399.48 g/mol
Exact Mass399.06
IUPAC Name2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
SMILESCOc1ccc(-n2nnnc2SCc2csc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H14FN5OS2/c1-25-16-8-6-15(7-9-16)24-18(21-22-23-24)27-11-14-10-26-17(20-14)12-2-4-13(19)5-3-12/h2-10H,11H2,1H3
InChIKeyUWXCHILSNXLDLN-UHFFFAOYSA-N
XLogP4.23
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole (CID 9408745) is 2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole is COc1ccc(-n2nnnc2SCc2csc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The InChIKey is UWXCHILSNXLDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5OS2/c1-25-16-8-6-15(7-9-16)24-18(21-22-23-24)27-11-14-10-26-17(20-14)12-2-4-13(19)5-3-12/h2-10H,11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole has a molecular weight of 399.48 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 9408745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).