N-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide

C13H14N2O2S — CID 17393834

IUPACN-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C13H14N2O2S/c1-17-8-7-14-12(16)11-9-18-13(15-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyHWOSCLKYXPSACB-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.19
Rot. Bonds5

About N-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide

N-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 17393834) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID17393834
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C13H14N2O2S/c1-17-8-7-14-12(16)11-9-18-13(15-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,16)
InChIKeyHWOSCLKYXPSACB-UHFFFAOYSA-N
XLogP2.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 17393834) is N-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide is COCCNC(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is HWOSCLKYXPSACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-17-8-7-14-12(16)11-9-18-13(15-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 17393834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).