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

C13H13N3O3S — CID 91489837

IUPAC2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1nc(-c2cc[nH]c(=O)c2)cs1
InChIInChI=1S/C13H13N3O3S/c17-11-6-8(3-4-14-11)9-7-20-12(15-9)10-2-1-5-16(10)13(18)19/h3-4,6-7,10H,1-2,5H2,(H,14,17)(H,18,19)
InChIKeyZSYHAULRGFHOMY-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.31
Rot. Bonds2

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

2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid (PubChem CID 91489837) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid
PubChem CID91489837
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1nc(-c2cc[nH]c(=O)c2)cs1
InChIInChI=1S/C13H13N3O3S/c17-11-6-8(3-4-14-11)9-7-20-12(15-9)10-2-1-5-16(10)13(18)19/h3-4,6-7,10H,1-2,5H2,(H,14,17)(H,18,19)
InChIKeyZSYHAULRGFHOMY-UHFFFAOYSA-N
XLogP2.31
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
CID 67479701
(2R)-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 141220899
N-(2,5-dichlorophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 175373976
(2S)-N-(4-tert-butylphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 154636961
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
(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
CID 58582722
(2S)-2-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
CID 121256694
[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95762306
tert-butyl 2-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 67358584
[(1S)-5-carbamoyl-2-adamantyl] (2R)-2-[4-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate
CID 67480018
2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 167816908

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid (CID 91489837) is 2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1c1nc(-c2cc[nH]c(=O)c2)cs1.
What is the InChIKey of 2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is ZSYHAULRGFHOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c17-11-6-8(3-4-14-11)9-7-20-12(15-9)10-2-1-5-16(10)13(18)19/h3-4,6-7,10H,1-2,5H2,(H,14,17)(H,18,19).
What are the key properties of 2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid?
2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 291.33 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-1H-pyridin-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 91489837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).