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

C13H12FN5O2S2 — CID 167760605

IUPAC4-[2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]ethyl]-1,3-thiazole
SMILESO=S(=O)(CCc1cscn1)Cc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C13H12FN5O2S2/c14-10-1-3-12(4-2-10)19-13(16-17-18-19)8-23(20,21)6-5-11-7-22-9-15-11/h1-4,7,9H,5-6,8H2
InChIKeyFMTXZFPGSZDADT-UHFFFAOYSA-N
MW353.40 g/mol
LogP1.42
Rot. Bonds6

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

4-[2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]ethyl]-1,3-thiazole (PubChem CID 167760605) has the molecular formula C13H12FN5O2S2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-[2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]ethyl]-1,3-thiazole
PubChem CID167760605
Molecular FormulaC13H12FN5O2S2
Molecular Weight353.40 g/mol
Exact Mass353.04
IUPAC Name4-[2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]ethyl]-1,3-thiazole
SMILESO=S(=O)(CCc1cscn1)Cc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C13H12FN5O2S2/c14-10-1-3-12(4-2-10)19-13(16-17-18-19)8-23(20,21)6-5-11-7-22-9-15-11/h1-4,7,9H,5-6,8H2
InChIKeyFMTXZFPGSZDADT-UHFFFAOYSA-N
XLogP1.42
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]ethyl]-1,3-thiazole?
The IUPAC name of 4-[2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]ethyl]-1,3-thiazole (CID 167760605) is 4-[2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-[2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]ethyl]-1,3-thiazole?
The canonical SMILES for 4-[2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]ethyl]-1,3-thiazole is O=S(=O)(CCc1cscn1)Cc1nnnn1-c1ccc(F)cc1.
What is the InChIKey of 4-[2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]ethyl]-1,3-thiazole?
The InChIKey is FMTXZFPGSZDADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O2S2/c14-10-1-3-12(4-2-10)19-13(16-17-18-19)8-23(20,21)6-5-11-7-22-9-15-11/h1-4,7,9H,5-6,8H2.
What are the key properties of 4-[2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]ethyl]-1,3-thiazole?
4-[2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]ethyl]-1,3-thiazole has a molecular weight of 353.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(4-fluorophenyl)tetrazol-5-yl]methylsulfonyl]ethyl]-1,3-thiazole is sourced from PubChem (CID 167760605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).