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

C17H17N5O3S — CID 78322615

IUPAC2-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(OC3CCCC3)c(-n3cnnn3)c2)sc1C(=O)O
InChIInChI=1S/C17H17N5O3S/c1-10-15(17(23)24)26-16(19-10)11-6-7-14(25-12-4-2-3-5-12)13(8-11)22-9-18-20-21-22/h6-9,12H,2-5H2,1H3,(H,23,24)
InChIKeyVNRGMYHIYVNLGC-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.11
Rot. Bonds5

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

2-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 78322615) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID78322615
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name2-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccc(OC3CCCC3)c(-n3cnnn3)c2)sc1C(=O)O
InChIInChI=1S/C17H17N5O3S/c1-10-15(17(23)24)26-16(19-10)11-6-7-14(25-12-4-2-3-5-12)13(8-11)22-9-18-20-21-22/h6-9,12H,2-5H2,1H3,(H,23,24)
InChIKeyVNRGMYHIYVNLGC-UHFFFAOYSA-N
XLogP3.11
TPSA103.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-cyclohexyloxy-3-imidazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 78321683
2-[4-(2-fluorophenoxy)-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 78322922
ethyl 4-methyl-2-[4-propan-2-yloxy-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxylate
CID 118555064
fluoro 4-methyl-2-[4-(2-methylpropylsulfanyl)-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxylate
CID 139312274
N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 52656409
2-(3-cyano-4-cyclohexyloxyphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylic acid
CID 73053328
1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101390
[4-(tetrazol-1-yl)phenyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 27674834
2-[3-carboxy-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46849410
2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid;methanamine
CID 54588797
(2R)-1-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371551
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-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 78322615) is 2-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccc(OC3CCCC3)c(-n3cnnn3)c2)sc1C(=O)O.
What is the InChIKey of 2-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is VNRGMYHIYVNLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-10-15(17(23)24)26-16(19-10)11-6-7-14(25-12-4-2-3-5-12)13(8-11)22-9-18-20-21-22/h6-9,12H,2-5H2,1H3,(H,23,24).
What are the key properties of 2-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 371.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopentyloxy-3-(tetrazol-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 78322615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).