1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid

C11H11N3O3S — CID 113288923

IUPAC1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1Cc1cn2ccsc2n1
InChIInChI=1S/C11H11N3O3S/c15-9-2-1-8(10(16)17)14(9)6-7-5-13-3-4-18-11(13)12-7/h3-5,8H,1-2,6H2,(H,16,17)
InChIKeyKHNJGDHDETXPBU-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.97
Rot. Bonds3

About 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid

1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 113288923) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID113288923
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1Cc1cn2ccsc2n1
InChIInChI=1S/C11H11N3O3S/c15-9-2-1-8(10(16)17)14(9)6-7-5-13-3-4-18-11(13)12-7/h3-5,8H,1-2,6H2,(H,16,17)
InChIKeyKHNJGDHDETXPBU-UHFFFAOYSA-N
XLogP0.97
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61136837
(4R)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61145260
1-[(1-methyltriazol-4-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 107043962
tert-butyl (2S)-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxylate
CID 80998122
1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116557487
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
(3R)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperidine-3-carboxylic acid
CID 81118544
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2,5-dihydropyrrole-2-carboxylic acid
CID 121496999
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
2-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 115331879
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 163316234
2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid
CID 115332454

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid (CID 113288923) is 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid is O=C(O)C1CCC(=O)N1Cc1cn2ccsc2n1.
What is the InChIKey of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is KHNJGDHDETXPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c15-9-2-1-8(10(16)17)14(9)6-7-5-13-3-4-18-11(13)12-7/h3-5,8H,1-2,6H2,(H,16,17).
What are the key properties of 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid?
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 113288923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).