5-(ethylaminomethyl)thiadiazole-4-carboxylic acid

C6H9N3O2S — CID 117214599

IUPAC5-(ethylaminomethyl)thiadiazole-4-carboxylic acid
SMILESCCNCc1snnc1C(=O)O
InChIInChI=1S/C6H9N3O2S/c1-2-7-3-4-5(6(10)11)8-9-12-4/h7H,2-3H2,1H3,(H,10,11)
InChIKeyHOFAYXISMARYNG-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.35
Rot. Bonds4

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

5-(ethylaminomethyl)thiadiazole-4-carboxylic acid (PubChem CID 117214599) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 5-(ethylaminomethyl)thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(ethylaminomethyl)thiadiazole-4-carboxylic acid
PubChem CID117214599
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name5-(ethylaminomethyl)thiadiazole-4-carboxylic acid
SMILESCCNCc1snnc1C(=O)O
InChIInChI=1S/C6H9N3O2S/c1-2-7-3-4-5(6(10)11)8-9-12-4/h7H,2-3H2,1H3,(H,10,11)
InChIKeyHOFAYXISMARYNG-UHFFFAOYSA-N
XLogP0.35
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.35
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
4-[(Propan-2-ylamino)methyl]thiadiazole-5-carboxylic acid
CID 117214409
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-(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-(Piperidin-1-ylmethyl)thiadiazole-4-carboxylic acid
CID 117214539

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)thiadiazole-4-carboxylic acid?
The IUPAC name of 5-(ethylaminomethyl)thiadiazole-4-carboxylic acid (CID 117214599) is 5-(ethylaminomethyl)thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-(ethylaminomethyl)thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-(ethylaminomethyl)thiadiazole-4-carboxylic acid is CCNCc1snnc1C(=O)O.
What is the InChIKey of 5-(ethylaminomethyl)thiadiazole-4-carboxylic acid?
The InChIKey is HOFAYXISMARYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-2-7-3-4-5(6(10)11)8-9-12-4/h7H,2-3H2,1H3,(H,10,11).
What are the key properties of 5-(ethylaminomethyl)thiadiazole-4-carboxylic acid?
5-(ethylaminomethyl)thiadiazole-4-carboxylic acid has a molecular weight of 187.22 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)thiadiazole-4-carboxylic acid is sourced from PubChem (CID 117214599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).