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

C8H9NO2S — CID 96627426

IUPAC2-[1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2cncs2)CC1
InChIInChI=1S/C8H9NO2S/c10-7(11)3-8(1-2-8)6-4-9-5-12-6/h4-5H,1-3H2,(H,10,11)
InChIKeyXNRBGFGOIKJDAO-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.65
Rot. Bonds3

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

2-[1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid (PubChem CID 96627426) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid
PubChem CID96627426
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name2-[1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2cncs2)CC1
InChIInChI=1S/C8H9NO2S/c10-7(11)3-8(1-2-8)6-4-9-5-12-6/h4-5H,1-3H2,(H,10,11)
InChIKeyXNRBGFGOIKJDAO-UHFFFAOYSA-N
XLogP1.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid (CID 96627426) is 2-[1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid is O=C(O)CC1(c2cncs2)CC1.
What is the InChIKey of 2-[1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid?
The InChIKey is XNRBGFGOIKJDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c10-7(11)3-8(1-2-8)6-4-9-5-12-6/h4-5H,1-3H2,(H,10,11).
What are the key properties of 2-[1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid?
2-[1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid has a molecular weight of 183.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-5-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 96627426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).