4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid

C8H11N3O2S — CID 117214281

IUPAC4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid
SMILESO=C(O)c1snnc1CNC1CCC1
InChIInChI=1S/C8H11N3O2S/c12-8(13)7-6(10-11-14-7)4-9-5-2-1-3-5/h5,9H,1-4H2,(H,12,13)
InChIKeyRMKRYBSYXQYDKG-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.88
Rot. Bonds4

About 4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid

4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid (PubChem CID 117214281) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid
PubChem CID117214281
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid
SMILESO=C(O)c1snnc1CNC1CCC1
InChIInChI=1S/C8H11N3O2S/c12-8(13)7-6(10-11-14-7)4-9-5-2-1-3-5/h5,9H,1-4H2,(H,12,13)
InChIKeyRMKRYBSYXQYDKG-UHFFFAOYSA-N
XLogP0.88
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethylethanamine;4-methylthiadiazole-5-carboxylic acid
CID 177735710
4-[(Cyclopropylamino)methyl]thiadiazole-5-carboxylic acid
CID 117214277
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
4-(Piperazin-1-ylmethyl)thiadiazole-5-carboxylic acid
CID 117214311
4-[(4-Methylpiperazin-1-yl)methyl]thiadiazole-5-carboxylic acid
CID 117214315
4-(Ethylaminomethyl)thiadiazole-5-carboxylic acid
CID 117214406

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid?
The IUPAC name of 4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid (CID 117214281) is 4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid.
What is the SMILES notation for 4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid?
The canonical SMILES for 4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid is O=C(O)c1snnc1CNC1CCC1.
What is the InChIKey of 4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid?
The InChIKey is RMKRYBSYXQYDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-8(13)7-6(10-11-14-7)4-9-5-2-1-3-5/h5,9H,1-4H2,(H,12,13).
What are the key properties of 4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid?
4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclobutylamino)methyl]thiadiazole-5-carboxylic acid is sourced from PubChem (CID 117214281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).