3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid

C14H17N3O3S — CID 63146266

IUPAC3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1cn2c(CC(=O)N3CCC(C)(C(=O)O)C3)csc2n1
InChIInChI=1S/C14H17N3O3S/c1-9-6-17-10(7-21-13(17)15-9)5-11(18)16-4-3-14(2,8-16)12(19)20/h6-7H,3-5,8H2,1-2H3,(H,19,20)
InChIKeyDBFFDQDWXMBOLN-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.57
Rot. Bonds3

About 3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 63146266) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID63146266
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCc1cn2c(CC(=O)N3CCC(C)(C(=O)O)C3)csc2n1
InChIInChI=1S/C14H17N3O3S/c1-9-6-17-10(7-21-13(17)15-9)5-11(18)16-4-3-14(2,8-16)12(19)20/h6-7H,3-5,8H2,1-2H3,(H,19,20)
InChIKeyDBFFDQDWXMBOLN-UHFFFAOYSA-N
XLogP1.57
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 63146266) is 3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid is Cc1cn2c(CC(=O)N3CCC(C)(C(=O)O)C3)csc2n1.
What is the InChIKey of 3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is DBFFDQDWXMBOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-6-17-10(7-21-13(17)15-9)5-11(18)16-4-3-14(2,8-16)12(19)20/h6-7H,3-5,8H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 307.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).