2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide

C13H15N3O2S — CID 39071451

IUPAC2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)c1sc(N)nc1-c1ccccc1
InChIInChI=1S/C13H15N3O2S/c1-18-8-7-15-12(17)11-10(16-13(14)19-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyMSDQQRUSAYPYQF-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.77
Rot. Bonds5

About 2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide

2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 39071451) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID39071451
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOCCNC(=O)c1sc(N)nc1-c1ccccc1
InChIInChI=1S/C13H15N3O2S/c1-18-8-7-15-12(17)11-10(16-13(14)19-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyMSDQQRUSAYPYQF-UHFFFAOYSA-N
XLogP1.77
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.77
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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Related Compounds

2-amino-N-[(4-methoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071437
[2-(2-methoxyethylamino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617788
N-(2-methoxyethyl)-4-(4-methoxyphenyl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 53369144
2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071376
2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071425
N-(3-aminopropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 119404834
N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071356
2-amino-N-methyl-N,4-diphenyl-1,3-thiazole-5-carboxamide
CID 39071360
2-amino-N-(2-hydroxyethyl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 39194710
2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 39071372
2-amino-N-(3-chloro-4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115631
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115695

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 39071451) is 2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide is COCCNC(=O)c1sc(N)nc1-c1ccccc1.
What is the InChIKey of 2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is MSDQQRUSAYPYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-18-8-7-15-12(17)11-10(16-13(14)19-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide?
2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39071451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).