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

C8H11N3O2S — CID 117214532

IUPAC5-[(cyclobutylamino)methyl]thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1CNC1CCC1
InChIInChI=1S/C8H11N3O2S/c12-8(13)7-6(14-11-10-7)4-9-5-2-1-3-5/h5,9H,1-4H2,(H,12,13)
InChIKeyQFXYGDCZKVUXNS-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.88
Rot. Bonds4

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

5-[(cyclobutylamino)methyl]thiadiazole-4-carboxylic acid (PubChem CID 117214532) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 5-[(cyclobutylamino)methyl]thiadiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(cyclobutylamino)methyl]thiadiazole-4-carboxylic acid
PubChem CID117214532
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name5-[(cyclobutylamino)methyl]thiadiazole-4-carboxylic acid
SMILESO=C(O)c1nnsc1CNC1CCC1
InChIInChI=1S/C8H11N3O2S/c12-8(13)7-6(14-11-10-7)4-9-5-2-1-3-5/h5,9H,1-4H2,(H,12,13)
InChIKeyQFXYGDCZKVUXNS-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

5-(((tert-Butoxycarbonyl)amino)methyl)-1,2,3-thiadiazole-4-carboxylic acid
CID 177799481
4-[(Cyclobutylamino)methyl]thiadiazole-5-carboxylic acid
CID 117214281
4-[(Propan-2-ylamino)methyl]thiadiazole-5-carboxylic acid
CID 117214409
5-[(Cyclopropylamino)methyl]thiadiazole-4-carboxylic acid
CID 117214530
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
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-[(cyclobutylamino)methyl]thiadiazole-4-carboxylic acid?
The IUPAC name of 5-[(cyclobutylamino)methyl]thiadiazole-4-carboxylic acid (CID 117214532) is 5-[(cyclobutylamino)methyl]thiadiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(cyclobutylamino)methyl]thiadiazole-4-carboxylic acid?
The canonical SMILES for 5-[(cyclobutylamino)methyl]thiadiazole-4-carboxylic acid is O=C(O)c1nnsc1CNC1CCC1.
What is the InChIKey of 5-[(cyclobutylamino)methyl]thiadiazole-4-carboxylic acid?
The InChIKey is QFXYGDCZKVUXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c12-8(13)7-6(14-11-10-7)4-9-5-2-1-3-5/h5,9H,1-4H2,(H,12,13).
What are the key properties of 5-[(cyclobutylamino)methyl]thiadiazole-4-carboxylic acid?
5-[(cyclobutylamino)methyl]thiadiazole-4-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 5-[(cyclobutylamino)methyl]thiadiazole-4-carboxylic acid is sourced from PubChem (CID 117214532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).