N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide

C12H12N2O2S — CID 63049091

IUPACN-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cscn1
InChIInChI=1S/C12H12N2O2S/c15-12(11-8-17-9-14-11)13-6-7-16-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,13,15)
InChIKeyPGBYACBLMIVBPF-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.95
Rot. Bonds5

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

N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 63049091) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID63049091
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cscn1
InChIInChI=1S/C12H12N2O2S/c15-12(11-8-17-9-14-11)13-6-7-16-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,13,15)
InChIKeyPGBYACBLMIVBPF-UHFFFAOYSA-N
XLogP1.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.95
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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Related Compounds

2-(1,3-thiazole-4-carbonylamino)ethyl carbamate
CID 83205186
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 112689477
6-(methylamino)-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 62179050
11-(1,3-thiazole-4-carbonylamino)undecanoic acid
CID 84556786
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083
N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 117088609
N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 62044830
N-phenyl-1,3-thiazole-4-carboxamide
CID 62045972
N-(4-bromobutyl)-1,3-thiazole-4-carboxamide
CID 106845763
N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 63038055
N-butyl-1,3-thiazole-4-carboxamide;ethane
CID 176555037
N-(3-acetamidopropyl)-1,3-thiazole-4-carboxamide
CID 84557796

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide (CID 63049091) is N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide is O=C(NCCOc1ccccc1)c1cscn1.
What is the InChIKey of N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PGBYACBLMIVBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-12(11-8-17-9-14-11)13-6-7-16-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,13,15).
What are the key properties of N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide?
N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63049091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).