(2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid

C12H13N3O3S — CID 61136837

IUPAC(2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C12H13N3O3S/c16-10(15-3-1-2-9(15)11(17)18)6-8-7-14-4-5-19-12(14)13-8/h4-5,7,9H,1-3,6H2,(H,17,18)/t9-/m0/s1
InChIKeyKVPCZHGUALGOTE-VIFPVBQESA-N
MW279.32 g/mol
LogP1.01
Rot. Bonds3

About (2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 61136837) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is (2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
PubChem CID61136837
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name(2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C12H13N3O3S/c16-10(15-3-1-2-9(15)11(17)18)6-8-7-14-4-5-19-12(14)13-8/h4-5,7,9H,1-3,6H2,(H,17,18)/t9-/m0/s1
InChIKeyKVPCZHGUALGOTE-VIFPVBQESA-N
XLogP1.01
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclopentyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxamide
CID 97221750
(4R)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 61145260
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129370420
1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95311567
(3R)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperidine-3-carboxylic acid
CID 81118544
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 70729152
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94616471
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2,5-dihydropyrrole-2-carboxylic acid
CID 121496999
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 96572309
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95591217
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95607609
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
CID 96577359

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid (CID 61136837) is (2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of (2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KVPCZHGUALGOTE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N3O3S/c16-10(15-3-1-2-9(15)11(17)18)6-8-7-14-4-5-19-12(14)13-8/h4-5,7,9H,1-3,6H2,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 279.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61136837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).