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

C11H8FN5O2S2 — CID 167871482

IUPAC2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]-1,3-thiazole
SMILESO=S(=O)(Cc1nnnn1-c1ccc(F)cc1)c1nccs1
InChIInChI=1S/C11H8FN5O2S2/c12-8-1-3-9(4-2-8)17-10(14-15-16-17)7-21(18,19)11-13-5-6-20-11/h1-6H,7H2
InChIKeyKJKPCWTUOMZDCH-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.23
Rot. Bonds4

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

2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]-1,3-thiazole (PubChem CID 167871482) has the molecular formula C11H8FN5O2S2 and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]-1,3-thiazole
PubChem CID167871482
Molecular FormulaC11H8FN5O2S2
Molecular Weight325.35 g/mol
Exact Mass325.01
IUPAC Name2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]-1,3-thiazole
SMILESO=S(=O)(Cc1nnnn1-c1ccc(F)cc1)c1nccs1
InChIInChI=1S/C11H8FN5O2S2/c12-8-1-3-9(4-2-8)17-10(14-15-16-17)7-21(18,19)11-13-5-6-20-11/h1-6H,7H2
InChIKeyKJKPCWTUOMZDCH-UHFFFAOYSA-N
XLogP1.23
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Sulfanilamide, N(sup 1)-(2-(5-tetrazolyl)ethyl)-N(sup 1)-(2-thiazolyl)-
CID 3053089
2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)-N-(thiazol-2-yl)acetamide
CID 856650
2-[1-(2-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2991655
2-[1-[3-(Trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18708186
5-Methylsulfonyl-2-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18709385
N-(2,6-difluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole-2-sulfonamide
CID 21279526
4-(1H-tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 742144
2-fluoro-5-(tetrazol-1-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 55248918
2-[4-(4-Fluorophenyl)-5-(1,3-thiazol-5-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethanamine
CID 121505125
5-Tert-butyl-2-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methylsulfonyl]-1,3-thiazole
CID 166218944
2-[5-(2-Fluoroethyl)-1-(3,4,5-trifluorophenyl)-1,2,4-triazol-3-yl]-1,3-thiazole
CID 166368391
4-[2-[[1-(4-Fluorophenyl)tetrazol-5-yl]methylsulfonyl]ethyl]-1,3-thiazole
CID 167760605

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]-1,3-thiazole?
The IUPAC name of 2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]-1,3-thiazole (CID 167871482) is 2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]-1,3-thiazole.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]-1,3-thiazole?
The canonical SMILES for 2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]-1,3-thiazole is O=S(=O)(Cc1nnnn1-c1ccc(F)cc1)c1nccs1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]-1,3-thiazole?
The InChIKey is KJKPCWTUOMZDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O2S2/c12-8-1-3-9(4-2-8)17-10(14-15-16-17)7-21(18,19)11-13-5-6-20-11/h1-6H,7H2.
What are the key properties of 2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]-1,3-thiazole?
2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]-1,3-thiazole has a molecular weight of 325.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]-1,3-thiazole is sourced from PubChem (CID 167871482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).