3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide

C18H15ClN2O2S — CID 67372377

IUPAC3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide
SMILESCOCNC(=O)c1c(-c2ccc(Cl)cc2)nsc1-c1ccccc1
InChIInChI=1S/C18H15ClN2O2S/c1-23-11-20-18(22)15-16(12-7-9-14(19)10-8-12)21-24-17(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyJNFOSWQJLZDSQB-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.46
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide

3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide (PubChem CID 67372377) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide
PubChem CID67372377
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Name3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide
SMILESCOCNC(=O)c1c(-c2ccc(Cl)cc2)nsc1-c1ccccc1
InChIInChI=1S/C18H15ClN2O2S/c1-23-11-20-18(22)15-16(12-7-9-14(19)10-8-12)21-24-17(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,22)
InChIKeyJNFOSWQJLZDSQB-UHFFFAOYSA-N
XLogP4.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide (CID 67372377) is 3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide is COCNC(=O)c1c(-c2ccc(Cl)cc2)nsc1-c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide?
The InChIKey is JNFOSWQJLZDSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-23-11-20-18(22)15-16(12-7-9-14(19)10-8-12)21-24-17(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide?
3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(methoxymethyl)-5-phenyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 67372377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).