3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide

C17H18N4O2S — CID 86792967

IUPAC3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide
SMILESCc1csc(C(C)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1
InChIInChI=1S/C17H18N4O2S/c1-11-10-24-16(19-11)12(2)20-17(22)21-8-15(9-21)23-14-5-3-13(7-18)4-6-14/h3-6,10,12,15H,8-9H2,1-2H3,(H,20,22)
InChIKeyCWLQREPCGDKICV-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.86
Rot. Bonds4

About 3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide

3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide (PubChem CID 86792967) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide
PubChem CID86792967
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide
SMILESCc1csc(C(C)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1
InChIInChI=1S/C17H18N4O2S/c1-11-10-24-16(19-11)12(2)20-17(22)21-8-15(9-21)23-14-5-3-13(7-18)4-6-14/h3-6,10,12,15H,8-9H2,1-2H3,(H,20,22)
InChIKeyCWLQREPCGDKICV-UHFFFAOYSA-N
XLogP2.86
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide?
The IUPAC name of 3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide (CID 86792967) is 3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide is Cc1csc(C(C)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1.
What is the InChIKey of 3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide?
The InChIKey is CWLQREPCGDKICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-10-24-16(19-11)12(2)20-17(22)21-8-15(9-21)23-14-5-3-13(7-18)4-6-14/h3-6,10,12,15H,8-9H2,1-2H3,(H,20,22).
What are the key properties of 3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide?
3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide is sourced from PubChem (CID 86792967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).