2-phenyl-4-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole

C18H12F3N5OS2 — CID 18282986

IUPAC2-phenyl-4-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(-n2nnnc2SCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H12F3N5OS2/c19-18(20,21)27-15-8-6-14(7-9-15)26-17(23-24-25-26)29-11-13-10-28-16(22-13)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyMTTAJXHLTBHYAC-UHFFFAOYSA-N
MW435.46 g/mol
LogP4.98
Rot. Bonds6

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

2-phenyl-4-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole (PubChem CID 18282986) has the molecular formula C18H12F3N5OS2 and a molecular weight of 435.46 g/mol. Its IUPAC name is 2-phenyl-4-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
PubChem CID18282986
Molecular FormulaC18H12F3N5OS2
Molecular Weight435.46 g/mol
Exact Mass435.04
IUPAC Name2-phenyl-4-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(-n2nnnc2SCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H12F3N5OS2/c19-18(20,21)27-15-8-6-14(7-9-15)26-17(23-24-25-26)29-11-13-10-28-16(22-13)12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyMTTAJXHLTBHYAC-UHFFFAOYSA-N
XLogP4.98
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-phenyl-4-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole (CID 18282986) is 2-phenyl-4-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole is FC(F)(F)Oc1ccc(-n2nnnc2SCc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-phenyl-4-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
The InChIKey is MTTAJXHLTBHYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5OS2/c19-18(20,21)27-15-8-6-14(7-9-15)26-17(23-24-25-26)29-11-13-10-28-16(22-13)12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 2-phenyl-4-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole?
2-phenyl-4-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole has a molecular weight of 435.46 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 18282986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).