5-(methylaminomethyl)thiadiazole-4-carboxylic acid

C5H7N3O2S — CID 117214536

IUPAC5-(methylaminomethyl)thiadiazole-4-carboxylic acid
SMILESCNCc1snnc1C(=O)O
InChIInChI=1S/C5H7N3O2S/c1-6-2-3-4(5(9)10)7-8-11-3/h6H,2H2,1H3,(H,9,10)
InChIKeyGOQDNQMMZWIGGJ-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.04
Rot. Bonds3

About 5-(methylaminomethyl)thiadiazole-4-carboxylic acid

5-(methylaminomethyl)thiadiazole-4-carboxylic acid (PubChem CID 117214536) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 5-(methylaminomethyl)thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(methylaminomethyl)thiadiazole-4-carboxylic acid
PubChem CID117214536
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name5-(methylaminomethyl)thiadiazole-4-carboxylic acid
SMILESCNCc1snnc1C(=O)O
InChIInChI=1S/C5H7N3O2S/c1-6-2-3-4(5(9)10)7-8-11-3/h6H,2H2,1H3,(H,9,10)
InChIKeyGOQDNQMMZWIGGJ-UHFFFAOYSA-N
XLogP-0.04
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(((tert-Butoxycarbonyl)amino)methyl)-1,2,3-thiadiazole-4-carboxylic acid
CID 177799481
4-(Methylaminomethyl)thiadiazole-5-carboxylic acid
CID 117214295
4-(Ethylaminomethyl)thiadiazole-5-carboxylic acid
CID 117214406
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-(Aminomethyl)thiadiazole-4-carboxylic acid
CID 117214535
5-[(Dimethylamino)methyl]thiadiazole-4-carboxylic acid
CID 117214537
5-(Pyrrolidin-1-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214538
5-(Piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214539
5-(Azepan-1-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214540
5-(Piperazin-1-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214541

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)thiadiazole-4-carboxylic acid?
The IUPAC name of 5-(methylaminomethyl)thiadiazole-4-carboxylic acid (CID 117214536) is 5-(methylaminomethyl)thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-(methylaminomethyl)thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-(methylaminomethyl)thiadiazole-4-carboxylic acid is CNCc1snnc1C(=O)O.
What is the InChIKey of 5-(methylaminomethyl)thiadiazole-4-carboxylic acid?
The InChIKey is GOQDNQMMZWIGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-6-2-3-4(5(9)10)7-8-11-3/h6H,2H2,1H3,(H,9,10).
What are the key properties of 5-(methylaminomethyl)thiadiazole-4-carboxylic acid?
5-(methylaminomethyl)thiadiazole-4-carboxylic acid has a molecular weight of 173.20 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)thiadiazole-4-carboxylic acid is sourced from PubChem (CID 117214536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).