3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid

C9H10N2O3S — CID 117215214

IUPAC3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCCC2)ns1
InChIInChI=1S/C9H10N2O3S/c12-8(11-3-1-2-4-11)6-5-7(9(13)14)15-10-6/h5H,1-4H2,(H,13,14)
InChIKeyGSCXBZQTYWAWIS-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.08
Rot. Bonds2

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

3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 117215214) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
PubChem CID117215214
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCCC2)ns1
InChIInChI=1S/C9H10N2O3S/c12-8(11-3-1-2-4-11)6-5-7(9(13)14)15-10-6/h5H,1-4H2,(H,13,14)
InChIKeyGSCXBZQTYWAWIS-UHFFFAOYSA-N
XLogP1.08
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
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
4-Amino-3-(1-pyrrolidinylcarbonyl)-5-isothiazolecarboxylic acid
CID 56766689
3-(Cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215208
3-(Cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215209
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-(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

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid (CID 117215214) is 3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid is O=C(O)c1cc(C(=O)N2CCCC2)ns1.
What is the InChIKey of 3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is GSCXBZQTYWAWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c12-8(11-3-1-2-4-11)6-5-7(9(13)14)15-10-6/h5H,1-4H2,(H,13,14).
What are the key properties of 3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid?
3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 226.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 117215214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).