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

C13H14N2O3S — CID 43442132

IUPAC1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1csc(-c2ccco2)n1
InChIInChI=1S/C13H14N2O3S/c16-13(17)10-3-1-5-15(10)7-9-8-19-12(14-9)11-4-2-6-18-11/h2,4,6,8,10H,1,3,5,7H2,(H,16,17)
InChIKeyXLGAQRYBBAHXML-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.45
Rot. Bonds4

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

1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 43442132) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID43442132
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1csc(-c2ccco2)n1
InChIInChI=1S/C13H14N2O3S/c16-13(17)10-3-1-5-15(10)7-9-8-19-12(14-9)11-4-2-6-18-11/h2,4,6,8,10H,1,3,5,7H2,(H,16,17)
InChIKeyXLGAQRYBBAHXML-UHFFFAOYSA-N
XLogP2.45
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43441750
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79371085
(2S,3aS,7aR)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125138140
(2R)-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119914241
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119913874
1-[1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;dihydrochloride
CID 119928300
1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441678
(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
CID 32611074
2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 43521719
(2R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119913941
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 154828970

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid (CID 43442132) is 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1csc(-c2ccco2)n1.
What is the InChIKey of 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XLGAQRYBBAHXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c16-13(17)10-3-1-5-15(10)7-9-8-19-12(14-9)11-4-2-6-18-11/h2,4,6,8,10H,1,3,5,7H2,(H,16,17).
What are the key properties of 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid?
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43442132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).