1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid

C10H11N5O2S — CID 114031514

IUPAC1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESCc1ncc(-c2nnnn2C2(C(=O)O)CCC2)s1
InChIInChI=1S/C10H11N5O2S/c1-6-11-5-7(18-6)8-12-13-14-15(8)10(9(16)17)3-2-4-10/h5H,2-4H2,1H3,(H,16,17)
InChIKeyJCWSGYHTXXGLGX-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.07
Rot. Bonds3

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

1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (PubChem CID 114031514) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
PubChem CID114031514
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESCc1ncc(-c2nnnn2C2(C(=O)O)CCC2)s1
InChIInChI=1S/C10H11N5O2S/c1-6-11-5-7(18-6)8-12-13-14-15(8)10(9(16)17)3-2-4-10/h5H,2-4H2,1H3,(H,16,17)
InChIKeyJCWSGYHTXXGLGX-UHFFFAOYSA-N
XLogP1.07
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid (CID 114031514) is 1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is Cc1ncc(-c2nnnn2C2(C(=O)O)CCC2)s1.
What is the InChIKey of 1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
The InChIKey is JCWSGYHTXXGLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-6-11-5-7(18-6)8-12-13-14-15(8)10(9(16)17)3-2-4-10/h5H,2-4H2,1H3,(H,16,17).
What are the key properties of 1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid?
1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid has a molecular weight of 265.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methyl-1,3-thiazol-5-yl)tetrazol-1-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 114031514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).