2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid

C7H9N5O3S — CID 114913556

IUPAC2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Nc2nnns2)C1
InChIInChI=1S/C7H9N5O3S/c13-5(14)1-4-2-12(3-4)7(15)8-6-9-10-11-16-6/h4H,1-3H2,(H,13,14)(H,8,9,11,15)
InChIKeyGYNBYJICNRHBDI-UHFFFAOYSA-N
MW243.25 g/mol
LogP-0.13
Rot. Bonds3

About 2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid

2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid (PubChem CID 114913556) has the molecular formula C7H9N5O3S and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid
PubChem CID114913556
Molecular FormulaC7H9N5O3S
Molecular Weight243.25 g/mol
Exact Mass243.04
IUPAC Name2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Nc2nnns2)C1
InChIInChI=1S/C7H9N5O3S/c13-5(14)1-4-2-12(3-4)7(15)8-6-9-10-11-16-6/h4H,1-3H2,(H,13,14)(H,8,9,11,15)
InChIKeyGYNBYJICNRHBDI-UHFFFAOYSA-N
XLogP-0.13
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[8-(thiatriazol-5-ylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 114913490
3-[1-(thiatriazol-5-ylcarbamoyl)piperidin-4-yl]propanoic acid
CID 114913332
2-[4-(thiatriazol-5-ylcarbamoyl)thiomorpholin-3-yl]acetic acid
CID 114913395
(2S)-4-hydroxy-1-(thiatriazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104983041
2-(azetidin-3-yl)-N-(thiatriazol-5-yl)acetamide
CID 114912417
3-methyl-1-(thiatriazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 114913385
2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618398
2-[1-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]azetidin-3-yl]acetic acid
CID 107629128
2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616406
2-[1-(pyrimidin-5-ylcarbamoyl)pyrrolidin-3-yl]acetic acid
CID 107589216
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602
2-[1-[(4-methylsulfanylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618401

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid (CID 114913556) is 2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)Nc2nnns2)C1.
What is the InChIKey of 2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid?
The InChIKey is GYNBYJICNRHBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O3S/c13-5(14)1-4-2-12(3-4)7(15)8-6-9-10-11-16-6/h4H,1-3H2,(H,13,14)(H,8,9,11,15).
What are the key properties of 2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid?
2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid has a molecular weight of 243.25 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiatriazol-5-ylcarbamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 114913556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).