1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid

C11H16ClN3O2S — CID 106979102

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1Cc1nnsc1Cl
InChIInChI=1S/C11H16ClN3O2S/c1-2-4-11(10(16)17)5-3-6-15(11)7-8-9(12)18-14-13-8/h2-7H2,1H3,(H,16,17)
InChIKeyPEAPYFNMHVADTC-UHFFFAOYSA-N
MW289.79 g/mol
LogP2.41
Rot. Bonds5

About 1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid

1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106979102) has the molecular formula C11H16ClN3O2S and a molecular weight of 289.79 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106979102
Molecular FormulaC11H16ClN3O2S
Molecular Weight289.79 g/mol
Exact Mass289.07
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1Cc1nnsc1Cl
InChIInChI=1S/C11H16ClN3O2S/c1-2-4-11(10(16)17)5-3-6-15(11)7-8-9(12)18-14-13-8/h2-7H2,1H3,(H,16,17)
InChIKeyPEAPYFNMHVADTC-UHFFFAOYSA-N
XLogP2.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-2-oxoethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978992
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979151
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978676
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979077
1-[(6-methoxy-2-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979080
1-(2-methoxyethyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106979011
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978863
1-[(3-ethylimidazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978686
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978885
1-[(5-bromo-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979027
1-(3-methylbut-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978657
1-(2,3-dichloroprop-2-enyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978685

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106979102) is 1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1Cc1nnsc1Cl.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is PEAPYFNMHVADTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2S/c1-2-4-11(10(16)17)5-3-6-15(11)7-8-9(12)18-14-13-8/h2-7H2,1H3,(H,16,17).
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 289.79 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106979102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).