1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid

C12H17N3O3S — CID 65206215

IUPAC1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)c1nnsc1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H17N3O3S/c1-12(2,3)9-8(19-14-13-9)10(16)15-6-4-5-7(15)11(17)18/h7H,4-6H2,1-3H3,(H,17,18)
InChIKeyMVHQPVTZFGOAJU-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.52
Rot. Bonds2

About 1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid

1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 65206215) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID65206215
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)(C)c1nnsc1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H17N3O3S/c1-12(2,3)9-8(19-14-13-9)10(16)15-6-4-5-7(15)11(17)18/h7H,4-6H2,1-3H3,(H,17,18)
InChIKeyMVHQPVTZFGOAJU-UHFFFAOYSA-N
XLogP1.52
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butylthiadiazole-5-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77059647
[2-(aminomethyl)piperidin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone
CID 65209876
(2R)-1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371482
(4-tert-butylthiadiazol-5-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102784557
(4-bromopiperidin-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone
CID 80662682
1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176258
[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61177812
(2S)-1-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 119366168
N'-hydroxy-1-(4-propylthiadiazole-5-carbonyl)pyrrolidine-2-carboximidamide
CID 77059648
1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 43092215
(4-tert-butylthiadiazol-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 65209884
1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid
CID 61157679

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 65206215) is 1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid is CC(C)(C)c1nnsc1C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is MVHQPVTZFGOAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-12(2,3)9-8(19-14-13-9)10(16)15-6-4-5-7(15)11(17)18/h7H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid?
1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazole-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65206215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).