1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid

C8H7F3N2O2S — CID 122064404

IUPAC1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(c2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C8H7F3N2O2S/c9-8(10,11)5-1-12-7(16-5)13-2-4(3-13)6(14)15/h1,4H,2-3H2,(H,14,15)
InChIKeyNZANORSNMNEZIP-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.68
Rot. Bonds2

About 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid

1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid (PubChem CID 122064404) has the molecular formula C8H7F3N2O2S and a molecular weight of 252.22 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid
PubChem CID122064404
Molecular FormulaC8H7F3N2O2S
Molecular Weight252.22 g/mol
Exact Mass252.02
IUPAC Name1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(c2ncc(C(F)(F)F)s2)C1
InChIInChI=1S/C8H7F3N2O2S/c9-8(10,11)5-1-12-7(16-5)13-2-4(3-13)6(14)15/h1,4H,2-3H2,(H,14,15)
InChIKeyNZANORSNMNEZIP-UHFFFAOYSA-N
XLogP1.68
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid (CID 122064404) is 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid is O=C(O)C1CN(c2ncc(C(F)(F)F)s2)C1.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid?
The InChIKey is NZANORSNMNEZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2S/c9-8(10,11)5-1-12-7(16-5)13-2-4(3-13)6(14)15/h1,4H,2-3H2,(H,14,15).
What are the key properties of 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid?
1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid has a molecular weight of 252.22 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]azetidine-3-carboxylic acid is sourced from PubChem (CID 122064404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).