2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid

C15H17N3O2S — CID 79370396

IUPAC2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C15H17N3O2S/c1-10-12(15(19)20)5-7-18(10)8-11-9-21-14(17-11)13-4-2-3-6-16-13/h2-4,6,9-10,12H,5,7-8H2,1H3,(H,19,20)
InChIKeyPCIHVJKMFHKTGV-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.50
Rot. Bonds4

About 2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 79370396) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID79370396
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C15H17N3O2S/c1-10-12(15(19)20)5-7-18(10)8-11-9-21-14(17-11)13-4-2-3-6-16-13/h2-4,6,9-10,12H,5,7-8H2,1H3,(H,19,20)
InChIKeyPCIHVJKMFHKTGV-UHFFFAOYSA-N
XLogP2.50
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371085
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79369310
methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
CID 71861442
2-methyl-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 115529748
N-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]benzamide
CID 18142784
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 62020101
[6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol
CID 110016984
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648086
2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 60711339
(2R,3R)-2-methyl-1-[[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 122124843
2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 126792905
2-[cyclopropyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 60834515

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid (CID 79370396) is 2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1Cc1csc(-c2ccccn2)n1.
What is the InChIKey of 2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is PCIHVJKMFHKTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-12(15(19)20)5-7-18(10)8-11-9-21-14(17-11)13-4-2-3-6-16-13/h2-4,6,9-10,12H,5,7-8H2,1H3,(H,19,20).
What are the key properties of 2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 303.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79370396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).