3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid

C9H10N2O3S — CID 117215209

IUPAC3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(NC1CCC1)c1cc(C(=O)O)sn1
InChIInChI=1S/C9H10N2O3S/c12-8(10-5-2-1-3-5)6-4-7(9(13)14)15-11-6/h4-5H,1-3H2,(H,10,12)(H,13,14)
InChIKeyGBZMIWQLNMASLD-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.12
Rot. Bonds3

About 3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid

3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 117215209) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid
PubChem CID117215209
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(NC1CCC1)c1cc(C(=O)O)sn1
InChIInChI=1S/C9H10N2O3S/c12-8(10-5-2-1-3-5)6-4-7(9(13)14)15-11-6/h4-5H,1-3H2,(H,10,12)(H,13,14)
InChIKeyGBZMIWQLNMASLD-UHFFFAOYSA-N
XLogP1.12
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Carbamoyl-1,2-thiazole-5-carboxylic acid
CID 117215211
3-(Cyclohexylmethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 174867642
3-(Cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215208
3-(Cyclopentylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215210
3-(Methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215212
3-(Dimethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215213
3-(Pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215214
3-(Piperidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215215
3-(Azepane-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215216
3-(Piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215217
3-(Morpholine-4-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215218
3-(4-Methylpiperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215219

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid (CID 117215209) is 3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid is O=C(NC1CCC1)c1cc(C(=O)O)sn1.
What is the InChIKey of 3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is GBZMIWQLNMASLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c12-8(10-5-2-1-3-5)6-4-7(9(13)14)15-11-6/h4-5H,1-3H2,(H,10,12)(H,13,14).
What are the key properties of 3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 226.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 117215209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).