2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid

C8H9N5O2S — CID 66043180

IUPAC2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid
SMILESCc1nc(-c2nnnn2C(C)C(=O)O)cs1
InChIInChI=1S/C8H9N5O2S/c1-4(8(14)15)13-7(10-11-12-13)6-3-16-5(2)9-6/h3-4H,1-2H3,(H,14,15)
InChIKeyQGYQYKUPXWKVHG-UHFFFAOYSA-N
MW239.26 g/mol
LogP0.75
Rot. Bonds3

About 2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid

2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid (PubChem CID 66043180) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid
PubChem CID66043180
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Name2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid
SMILESCc1nc(-c2nnnn2C(C)C(=O)O)cs1
InChIInChI=1S/C8H9N5O2S/c1-4(8(14)15)13-7(10-11-12-13)6-3-16-5(2)9-6/h3-4H,1-2H3,(H,14,15)
InChIKeyQGYQYKUPXWKVHG-UHFFFAOYSA-N
XLogP0.75
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid (CID 66043180) is 2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid is Cc1nc(-c2nnnn2C(C)C(=O)O)cs1.
What is the InChIKey of 2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is QGYQYKUPXWKVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-4(8(14)15)13-7(10-11-12-13)6-3-16-5(2)9-6/h3-4H,1-2H3,(H,14,15).
What are the key properties of 2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid?
2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 239.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-1,3-thiazol-4-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66043180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).