2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid

C13H15N3O2S — CID 135319473

IUPAC2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid
SMILESCc1cc2sc(C3CCCN3C(=O)O)nc2nc1C
InChIInChI=1S/C13H15N3O2S/c1-7-6-10-11(14-8(7)2)15-12(19-10)9-4-3-5-16(9)13(17)18/h6,9H,3-5H2,1-2H3,(H,17,18)
InChIKeyDKRVHDPOXJBVHJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.12
Rot. Bonds1

About 2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid

2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid (PubChem CID 135319473) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid
PubChem CID135319473
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid
SMILESCc1cc2sc(C3CCCN3C(=O)O)nc2nc1C
InChIInChI=1S/C13H15N3O2S/c1-7-6-10-11(14-8(7)2)15-12(19-10)9-4-3-5-16(9)13(17)18/h6,9H,3-5H2,1-2H3,(H,17,18)
InChIKeyDKRVHDPOXJBVHJ-UHFFFAOYSA-N
XLogP3.12
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 18542490
1-[(2R)-2-(6-methyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 158276639
[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 31920191
bis[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methanone
CID 47087499
1-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 78798776
1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 18682297
1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 94662284
1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 118359435
2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
CID 67479701
[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 51471043
1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119829476
[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 97132942

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid (CID 135319473) is 2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid is Cc1cc2sc(C3CCCN3C(=O)O)nc2nc1C.
What is the InChIKey of 2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is DKRVHDPOXJBVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-7-6-10-11(14-8(7)2)15-12(19-10)9-4-3-5-16(9)13(17)18/h6,9H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid?
2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 135319473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).