5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid

C9H13N3O2S — CID 117214539

IUPAC5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1CN1CCCCC1
InChIInChI=1S/C9H13N3O2S/c13-9(14)8-7(15-11-10-8)6-12-4-2-1-3-5-12/h1-6H2,(H,13,14)
InChIKeyNKBXYFXSISLDJO-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.22
Rot. Bonds3

About 5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid

5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid (PubChem CID 117214539) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid
PubChem CID117214539
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1CN1CCCCC1
InChIInChI=1S/C9H13N3O2S/c13-9(14)8-7(15-11-10-8)6-12-4-2-1-3-5-12/h1-6H2,(H,13,14)
InChIKeyNKBXYFXSISLDJO-UHFFFAOYSA-N
XLogP1.22
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Piperidin-1-ylmethyl)thiadiazole-5-carboxylic acid
CID 117214302
5-[(Cyclopropylamino)methyl]thiadiazole-4-carboxylic acid
CID 117214530
5-[(Cyclobutylamino)methyl]thiadiazole-4-carboxylic acid
CID 117214532
5-[(Cyclopentylamino)methyl]thiadiazole-4-carboxylic acid
CID 117214534
5-(Methylaminomethyl)thiadiazole-4-carboxylic acid
CID 117214536
5-[(Dimethylamino)methyl]thiadiazole-4-carboxylic acid
CID 117214537
5-(Pyrrolidin-1-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214538
5-(Azepan-1-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214540
5-(Piperazin-1-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214541
5-(Morpholin-4-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214542
5-[(4-Methylpiperazin-1-yl)methyl]thiadiazole-4-carboxylic acid
CID 117214543
5-(Ethylaminomethyl)thiadiazole-4-carboxylic acid
CID 117214599

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid?
The IUPAC name of 5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid (CID 117214539) is 5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid is O=C(O)c1nnsc1CN1CCCCC1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid?
The InChIKey is NKBXYFXSISLDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c13-9(14)8-7(15-11-10-8)6-12-4-2-1-3-5-12/h1-6H2,(H,13,14).
What are the key properties of 5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid?
5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid has a molecular weight of 227.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid is sourced from PubChem (CID 117214539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).