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

C13H13N3O2S — CID 67479701

IUPAC2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1nc(-c2ccncc2)cs1
InChIInChI=1S/C13H13N3O2S/c17-13(18)16-7-1-2-11(16)12-15-10(8-19-12)9-3-5-14-6-4-9/h3-6,8,11H,1-2,7H2,(H,17,18)
InChIKeyARPUHHMYCNLPQG-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.02
Rot. Bonds2

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

2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid (PubChem CID 67479701) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
PubChem CID67479701
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1nc(-c2ccncc2)cs1
InChIInChI=1S/C13H13N3O2S/c17-13(18)16-7-1-2-11(16)12-15-10(8-19-12)9-3-5-14-6-4-9/h3-6,8,11H,1-2,7H2,(H,17,18)
InChIKeyARPUHHMYCNLPQG-UHFFFAOYSA-N
XLogP3.02
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 141220899
2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid
CID 91489837
2-(4-phenyl-1,3-thiazol-2-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 175374032
tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 67357840
1-[4-propanoyl-5-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propan-1-one
CID 166108063
2-(1-adamantyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
CID 67479766
(2S)-N-(4-tert-butylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636961
2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 167816908
N-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 175373976
tert-butyl 2-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 67358584
1-[4-(cyclohexanecarbonyl)-7-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 166108079
4-[2-[4-acetyl-7-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-2-oxoethoxy]benzonitrile
CID 166108009

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid (CID 67479701) is 2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1c1nc(-c2ccncc2)cs1.
What is the InChIKey of 2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is ARPUHHMYCNLPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c17-13(18)16-7-1-2-11(16)12-15-10(8-19-12)9-3-5-14-6-4-9/h3-6,8,11H,1-2,7H2,(H,17,18).
What are the key properties of 2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid?
2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 275.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67479701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).