2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C18H12FN5O3S — CID 78322922

IUPAC2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(Oc3ccccc3F)c(-n3cnnn3)c2)sc1C(=O)O
InChIInChI=1S/C18H12FN5O3S/c1-10-16(18(25)26)28-17(21-10)11-6-7-15(13(8-11)24-9-20-22-23-24)27-14-5-3-2-4-12(14)19/h2-9H,1H3,(H,25,26)
InChIKeyHHHJBQCJCWDJJJ-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.72
Rot. Bonds5

About 2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 78322922) has the molecular formula C18H12FN5O3S and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID78322922
Molecular FormulaC18H12FN5O3S
Molecular Weight397.39 g/mol
Exact Mass397.06
IUPAC Name2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(Oc3ccccc3F)c(-n3cnnn3)c2)sc1C(=O)O
InChIInChI=1S/C18H12FN5O3S/c1-10-16(18(25)26)28-17(21-10)11-6-7-15(13(8-11)24-9-20-22-23-24)27-14-5-3-2-4-12(14)19/h2-9H,1H3,(H,25,26)
InChIKeyHHHJBQCJCWDJJJ-UHFFFAOYSA-N
XLogP3.72
TPSA103.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 78322615
ethyl 4-methyl-2-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxylate
CID 118555064
2-[4-(2,5-difluorophenoxy)-3-(tetrazol-1-yl)phenyl]-5-methyl-1H-imidazole-4-carboxylic acid
CID 139312267
2-(3-amino-4-phenoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 151518393
[4-(tetrazol-1-yl)phenyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 27674834
fluoro 4-methyl-2-[4-(2-methylpropylsulfanyl)-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxylate
CID 139312274
2-[4-(2-methoxyphenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20984655
2-[3-cyano-4-(trifluoromethylsulfonyloxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 151263613
4-methyl-2-phenyl-N'-[4-(tetrazol-1-yl)benzoyl]-1,3-thiazole-5-carbohydrazide
CID 29491918
2-[4-methoxy-3-[2-(2-methylphenoxy)ethoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20990695
2-[3-carboxy-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46849410
2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106817940

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 78322922) is 2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccc(Oc3ccccc3F)c(-n3cnnn3)c2)sc1C(=O)O.
What is the InChIKey of 2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HHHJBQCJCWDJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O3S/c1-10-16(18(25)26)28-17(21-10)11-6-7-15(13(8-11)24-9-20-22-23-24)27-14-5-3-2-4-12(14)19/h2-9H,1H3,(H,25,26).
What are the key properties of 2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 397.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 78322922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).