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

C8H10N2O2S — CID 64618068

IUPAC2-[1-(1,3-thiazol-2-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2nccs2)C1
InChIInChI=1S/C8H10N2O2S/c11-7(12)3-6-4-10(5-6)8-9-1-2-13-8/h1-2,6H,3-5H2,(H,11,12)
InChIKeyKJMZSSAFZJEJOM-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.05
Rot. Bonds3

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

2-[1-(1,3-thiazol-2-yl)azetidin-3-yl]acetic acid (PubChem CID 64618068) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-2-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-2-yl)azetidin-3-yl]acetic acid
PubChem CID64618068
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name2-[1-(1,3-thiazol-2-yl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2nccs2)C1
InChIInChI=1S/C8H10N2O2S/c11-7(12)3-6-4-10(5-6)8-9-1-2-13-8/h1-2,6H,3-5H2,(H,11,12)
InChIKeyKJMZSSAFZJEJOM-UHFFFAOYSA-N
XLogP1.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-Thiazol-2-yl)piperidine-4-carboxylic acid
CID 7131626
(3R)-5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 26967300
1-(1,3-Thiazol-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 54593164
5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxylic Acid
CID 4777977
1-(1,3-Thiazol-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708373
2-[1-[5-(Trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid
CID 178938913
3-[2-Carboxyethyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 15821112
4-(1,3-Thiazol-2-ylamino)butanoic acid
CID 24699660
Methyl 1-(thiazol-2-yl)piperidine-4-carboxylate
CID 60658785
1-(1,3-Thiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 63032380
2-[1-(1,3-Thiazol-2-yl)pyrrolidin-3-yl]acetic acid
CID 65980053
Lithium 1-(thiazol-2-yl)piperidine-4-carboxylate
CID 67115305

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-2-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1,3-thiazol-2-yl)azetidin-3-yl]acetic acid (CID 64618068) is 2-[1-(1,3-thiazol-2-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1,3-thiazol-2-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1,3-thiazol-2-yl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(c2nccs2)C1.
What is the InChIKey of 2-[1-(1,3-thiazol-2-yl)azetidin-3-yl]acetic acid?
The InChIKey is KJMZSSAFZJEJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-7(12)3-6-4-10(5-6)8-9-1-2-13-8/h1-2,6H,3-5H2,(H,11,12).
What are the key properties of 2-[1-(1,3-thiazol-2-yl)azetidin-3-yl]acetic acid?
2-[1-(1,3-thiazol-2-yl)azetidin-3-yl]acetic acid has a molecular weight of 198.25 g/mol, XLogP of 1.05, 3 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-2-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).