3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide

C15H16ClN3O2S — CID 162669009

IUPAC3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CC(Oc3ccc(C)c(Cl)c3)C2)s1
InChIInChI=1S/C15H16ClN3O2S/c1-9-3-4-11(5-13(9)16)21-12-7-19(8-12)15(20)18-14-17-6-10(2)22-14/h3-6,12H,7-8H2,1-2H3,(H,17,18,20)
InChIKeyUKNXAQXDGDEATF-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.71
Rot. Bonds3

About 3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide

3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide (PubChem CID 162669009) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide
PubChem CID162669009
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CC(Oc3ccc(C)c(Cl)c3)C2)s1
InChIInChI=1S/C15H16ClN3O2S/c1-9-3-4-11(5-13(9)16)21-12-7-19(8-12)15(20)18-14-17-6-10(2)22-14/h3-6,12H,7-8H2,1-2H3,(H,17,18,20)
InChIKeyUKNXAQXDGDEATF-UHFFFAOYSA-N
XLogP3.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The IUPAC name of 3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide (CID 162669009) is 3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide is Cc1cnc(NC(=O)N2CC(Oc3ccc(C)c(Cl)c3)C2)s1.
What is the InChIKey of 3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The InChIKey is UKNXAQXDGDEATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-9-3-4-11(5-13(9)16)21-12-7-19(8-12)15(20)18-14-17-6-10(2)22-14/h3-6,12H,7-8H2,1-2H3,(H,17,18,20).
What are the key properties of 3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide?
3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide has a molecular weight of 337.83 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 162669009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).