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

C10H13ClN2O2S — CID 107125720

IUPAC2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1ncc(Cl)s1
InChIInChI=1S/C10H13ClN2O2S/c11-8-5-12-9(16-8)6-13-3-1-2-7(13)4-10(14)15/h5,7H,1-4,6H2,(H,14,15)
InChIKeyMIYAPUBTVLIGFA-UHFFFAOYSA-N
MW260.75 g/mol
LogP2.24
Rot. Bonds4

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

2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid (PubChem CID 107125720) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid
PubChem CID107125720
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1ncc(Cl)s1
InChIInChI=1S/C10H13ClN2O2S/c11-8-5-12-9(16-8)6-13-3-1-2-7(13)4-10(14)15/h5,7H,1-4,6H2,(H,14,15)
InChIKeyMIYAPUBTVLIGFA-UHFFFAOYSA-N
XLogP2.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid (CID 107125720) is 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1Cc1ncc(Cl)s1.
What is the InChIKey of 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is MIYAPUBTVLIGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c11-8-5-12-9(16-8)6-13-3-1-2-7(13)4-10(14)15/h5,7H,1-4,6H2,(H,14,15).
What are the key properties of 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 260.75 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 107125720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).