2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide

C15H17N3O3S — CID 38028102

IUPAC2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NCCOc2ccc(C)cc2)cs1
InChIInChI=1S/C15H17N3O3S/c1-10-3-5-12(6-4-10)21-8-7-16-14(20)13-9-22-15(18-13)17-11(2)19/h3-6,9H,7-8H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyMHAPIBQMSRVKGA-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.22
Rot. Bonds6

About 2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 38028102) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID38028102
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NCCOc2ccc(C)cc2)cs1
InChIInChI=1S/C15H17N3O3S/c1-10-3-5-12(6-4-10)21-8-7-16-14(20)13-9-22-15(18-13)17-11(2)19/h3-6,9H,7-8H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyMHAPIBQMSRVKGA-UHFFFAOYSA-N
XLogP2.22
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide (CID 38028102) is 2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)NCCOc2ccc(C)cc2)cs1.
What is the InChIKey of 2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MHAPIBQMSRVKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-3-5-12(6-4-10)21-8-7-16-14(20)13-9-22-15(18-13)17-11(2)19/h3-6,9H,7-8H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38028102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).