3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid

C11H15NO3S — CID 116969533

IUPAC3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid
SMILESCCCc1csc(CC2(C(=O)O)COC2)n1
InChIInChI=1S/C11H15NO3S/c1-2-3-8-5-16-9(12-8)4-11(10(13)14)6-15-7-11/h5H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyCSSTYELLJJTVQU-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.74
Rot. Bonds5

About 3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid

3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid (PubChem CID 116969533) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid
PubChem CID116969533
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid
SMILESCCCc1csc(CC2(C(=O)O)COC2)n1
InChIInChI=1S/C11H15NO3S/c1-2-3-8-5-16-9(12-8)4-11(10(13)14)6-15-7-11/h5H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyCSSTYELLJJTVQU-UHFFFAOYSA-N
XLogP1.74
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid?
The IUPAC name of 3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid (CID 116969533) is 3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid?
The canonical SMILES for 3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid is CCCc1csc(CC2(C(=O)O)COC2)n1.
What is the InChIKey of 3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid?
The InChIKey is CSSTYELLJJTVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-2-3-8-5-16-9(12-8)4-11(10(13)14)6-15-7-11/h5H,2-4,6-7H2,1H3,(H,13,14).
What are the key properties of 3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid?
3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid has a molecular weight of 241.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propyl-1,3-thiazol-2-yl)methyl]oxetane-3-carboxylic acid is sourced from PubChem (CID 116969533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).