1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid

C11H11ClN4O2S — CID 113311517

IUPAC1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2-c2ccc(Cl)s2)CCC1
InChIInChI=1S/C11H11ClN4O2S/c12-8-3-2-7(19-8)9-13-14-15-16(9)6-11(10(17)18)4-1-5-11/h2-3H,1,4-6H2,(H,17,18)
InChIKeyZJYCAJPKEOUARM-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.31
Rot. Bonds4

About 1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid

1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid (PubChem CID 113311517) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.75 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
PubChem CID113311517
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.75 g/mol
Exact Mass298.03
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2-c2ccc(Cl)s2)CCC1
InChIInChI=1S/C11H11ClN4O2S/c12-8-3-2-7(19-8)9-13-14-15-16(9)6-11(10(17)18)4-1-5-11/h2-3H,1,4-6H2,(H,17,18)
InChIKeyZJYCAJPKEOUARM-UHFFFAOYSA-N
XLogP2.31
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]oxane-4-carboxylic acid
CID 115440752
1-[[5-(5-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311513
1-[[5-(5-bromo-4-methylthiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447220
1-[[5-(2-chlorophenyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 115434568
1-[[5-(2-chloro-3-fluorophenyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447209
1-[[5-(2-bromo-4-chlorophenyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 107995350
1-[[5-(thiadiazol-4-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311520
1-[[5-(4-methoxythiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447118
1-[[5-(2-iodophenyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447259
1-[[5-(6-methyl-3-pyridinyl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447213
1-[(5-pyrimidin-5-yltetrazol-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 102923004
1-[[5-(2-chlorofuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 106690601

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid (CID 113311517) is 1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(Cn2nnnc2-c2ccc(Cl)s2)CCC1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is ZJYCAJPKEOUARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c12-8-3-2-7(19-8)9-13-14-15-16(9)6-11(10(17)18)4-1-5-11/h2-3H,1,4-6H2,(H,17,18).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid?
1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 298.75 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-chlorothiophen-2-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 113311517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).