2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid

C10H14N2O2S — CID 131182150

IUPAC2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid
SMILESCC1CCCC1(Cc1csnn1)C(=O)O
InChIInChI=1S/C10H14N2O2S/c1-7-3-2-4-10(7,9(13)14)5-8-6-15-12-11-8/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyOKWNLZTZPVWROD-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.97
Rot. Bonds3

About 2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid

2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid (PubChem CID 131182150) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid
PubChem CID131182150
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid
SMILESCC1CCCC1(Cc1csnn1)C(=O)O
InChIInChI=1S/C10H14N2O2S/c1-7-3-2-4-10(7,9(13)14)5-8-6-15-12-11-8/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyOKWNLZTZPVWROD-UHFFFAOYSA-N
XLogP1.97
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid (CID 131182150) is 2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid is CC1CCCC1(Cc1csnn1)C(=O)O.
What is the InChIKey of 2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid?
The InChIKey is OKWNLZTZPVWROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-3-2-4-10(7,9(13)14)5-8-6-15-12-11-8/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid?
2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 131182150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).