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

C14H13Cl2N3O2S — CID 162674087

IUPAC3-(3-chloro-4-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide
SMILESCc1ccc(OC2CN(C(=O)Nc3ncc(Cl)s3)C2)cc1Cl
InChIInChI=1S/C14H13Cl2N3O2S/c1-8-2-3-9(4-11(8)15)21-10-6-19(7-10)14(20)18-13-17-5-12(16)22-13/h2-5,10H,6-7H2,1H3,(H,17,18,20)
InChIKeyXMTDJUXZZJXFPZ-UHFFFAOYSA-N
MW358.25 g/mol
LogP4.05
Rot. Bonds3

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

3-(3-chloro-4-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide (PubChem CID 162674087) has the molecular formula C14H13Cl2N3O2S and a molecular weight of 358.25 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide
PubChem CID162674087
Molecular FormulaC14H13Cl2N3O2S
Molecular Weight358.25 g/mol
Exact Mass357.01
IUPAC Name3-(3-chloro-4-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide
SMILESCc1ccc(OC2CN(C(=O)Nc3ncc(Cl)s3)C2)cc1Cl
InChIInChI=1S/C14H13Cl2N3O2S/c1-8-2-3-9(4-11(8)15)21-10-6-19(7-10)14(20)18-13-17-5-12(16)22-13/h2-5,10H,6-7H2,1H3,(H,17,18,20)
InChIKeyXMTDJUXZZJXFPZ-UHFFFAOYSA-N
XLogP4.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 54.05
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-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The IUPAC name of 3-(3-chloro-4-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide (CID 162674087) is 3-(3-chloro-4-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-(3-chloro-4-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide is Cc1ccc(OC2CN(C(=O)Nc3ncc(Cl)s3)C2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide?
The InChIKey is XMTDJUXZZJXFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2S/c1-8-2-3-9(4-11(8)15)21-10-6-19(7-10)14(20)18-13-17-5-12(16)22-13/h2-5,10H,6-7H2,1H3,(H,17,18,20).
What are the key properties of 3-(3-chloro-4-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide?
3-(3-chloro-4-methylphenoxy)-N-(5-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide has a molecular weight of 358.25 g/mol, XLogP of 4.05, 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-chloro-1,3-thiazol-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 162674087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).