4-(ethylaminomethyl)thiadiazole-5-carboxylic acid

C6H9N3O2S — CID 117214406

IUPAC4-(ethylaminomethyl)thiadiazole-5-carboxylic acid
SMILESCCNCc1nnsc1C(=O)O
InChIInChI=1S/C6H9N3O2S/c1-2-7-3-4-5(6(10)11)12-9-8-4/h7H,2-3H2,1H3,(H,10,11)
InChIKeyPRGQUNHOHOJKJO-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.35
Rot. Bonds4

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

4-(ethylaminomethyl)thiadiazole-5-carboxylic acid (PubChem CID 117214406) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 4-(ethylaminomethyl)thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(ethylaminomethyl)thiadiazole-5-carboxylic acid
PubChem CID117214406
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name4-(ethylaminomethyl)thiadiazole-5-carboxylic acid
SMILESCCNCc1nnsc1C(=O)O
InChIInChI=1S/C6H9N3O2S/c1-2-7-3-4-5(6(10)11)12-9-8-4/h7H,2-3H2,1H3,(H,10,11)
InChIKeyPRGQUNHOHOJKJO-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

N-ethylethanamine;4-methylthiadiazole-5-carboxylic acid
CID 177735710
3-[(4-Methylthiadiazole-5-carbonyl)amino]propanoic acid
CID 28777698
4-[(4-Methylthiadiazole-5-carbonyl)amino]butanoic acid
CID 28777723
4-[(Cyclopropylamino)methyl]thiadiazole-5-carboxylic acid
CID 117214277
4-[(Cyclobutylamino)methyl]thiadiazole-5-carboxylic acid
CID 117214281
4-[(Cyclopentylamino)methyl]thiadiazole-5-carboxylic acid
CID 117214285
4-(Aminomethyl)thiadiazole-5-carboxylic acid
CID 117214294
4-(Methylaminomethyl)thiadiazole-5-carboxylic acid
CID 117214295
4-[(Dimethylamino)methyl]thiadiazole-5-carboxylic acid
CID 117214296
4-(Pyrrolidin-1-ylmethyl)thiadiazole-5-carboxylic acid
CID 117214299
4-(Piperidin-1-ylmethyl)thiadiazole-5-carboxylic acid
CID 117214302
4-(Azepan-1-ylmethyl)thiadiazole-5-carboxylic acid
CID 117214305

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)thiadiazole-5-carboxylic acid?
The IUPAC name of 4-(ethylaminomethyl)thiadiazole-5-carboxylic acid (CID 117214406) is 4-(ethylaminomethyl)thiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-(ethylaminomethyl)thiadiazole-5-carboxylic acid?
The canonical SMILES for 4-(ethylaminomethyl)thiadiazole-5-carboxylic acid is CCNCc1nnsc1C(=O)O.
What is the InChIKey of 4-(ethylaminomethyl)thiadiazole-5-carboxylic acid?
The InChIKey is PRGQUNHOHOJKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-2-7-3-4-5(6(10)11)12-9-8-4/h7H,2-3H2,1H3,(H,10,11).
What are the key properties of 4-(ethylaminomethyl)thiadiazole-5-carboxylic acid?
4-(ethylaminomethyl)thiadiazole-5-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 4-(ethylaminomethyl)thiadiazole-5-carboxylic acid is sourced from PubChem (CID 117214406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).