2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide

C17H23N3O4S2 — CID 46434134

IUPAC2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NCCCN(C)S(C)(=O)=O)cs2)cc1
InChIInChI=1S/C17H23N3O4S2/c1-4-24-14-8-6-13(7-9-14)17-19-15(12-25-17)16(21)18-10-5-11-20(2)26(3,22)23/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyWVFYTVRXSHPSEG-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.22
Rot. Bonds9

About 2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide

2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide (PubChem CID 46434134) has the molecular formula C17H23N3O4S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide
PubChem CID46434134
Molecular FormulaC17H23N3O4S2
Molecular Weight397.52 g/mol
Exact Mass397.11
IUPAC Name2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NCCCN(C)S(C)(=O)=O)cs2)cc1
InChIInChI=1S/C17H23N3O4S2/c1-4-24-14-8-6-13(7-9-14)17-19-15(12-25-17)16(21)18-10-5-11-20(2)26(3,22)23/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyWVFYTVRXSHPSEG-UHFFFAOYSA-N
XLogP2.22
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 55616686
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
2-(4-ethoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 56558235
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
N-(3-methoxypropyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 51204736
2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119385999
2-(4-ethoxyphenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 38741594
2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
CID 46422350
2-(4-ethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 32609720
2-[4-[(3,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42865871
N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 53032327

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide (CID 46434134) is 2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)NCCCN(C)S(C)(=O)=O)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WVFYTVRXSHPSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S2/c1-4-24-14-8-6-13(7-9-14)17-19-15(12-25-17)16(21)18-10-5-11-20(2)26(3,22)23/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,21).
What are the key properties of 2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide?
2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[3-[methyl(methylsulfonyl)amino]propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46434134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).