2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid

C10H14N2O2S — CID 112641386

IUPAC2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1cncs1
InChIInChI=1S/C10H14N2O2S/c13-10(14)4-8-2-1-3-12(8)6-9-5-11-7-15-9/h5,7-8H,1-4,6H2,(H,13,14)
InChIKeyYRQXPXFUUJXOGO-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.58
Rot. Bonds4

About 2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid

2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid (PubChem CID 112641386) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid
PubChem CID112641386
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1cncs1
InChIInChI=1S/C10H14N2O2S/c13-10(14)4-8-2-1-3-12(8)6-9-5-11-7-15-9/h5,7-8H,1-4,6H2,(H,13,14)
InChIKeyYRQXPXFUUJXOGO-UHFFFAOYSA-N
XLogP1.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 129487841
5-[[2-(bromomethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 112644416
2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 107125720
2-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-ol
CID 131019864
N'-hydroxy-1-(1,3-thiazol-5-ylmethyl)pyrrolidine-2-carboximidamide
CID 103953989
2-[1-(1,2-oxazol-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 61372299
tert-butyl N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-2-yl]methyl]carbamate
CID 71632263
2-[1-(isoquinolin-4-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 104505267
2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370722
2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61372306
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371917
N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide
CID 155986787

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid (CID 112641386) is 2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1Cc1cncs1.
What is the InChIKey of 2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is YRQXPXFUUJXOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-10(14)4-8-2-1-3-12(8)6-9-5-11-7-15-9/h5,7-8H,1-4,6H2,(H,13,14).
What are the key properties of 2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid?
2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 226.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 112641386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).