2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide

C20H21N3O2S — CID 78861131

IUPAC2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)Nc3c(C)cc(C)nc3C)cs2)cc1
InChIInChI=1S/C20H21N3O2S/c1-5-25-16-8-6-15(7-9-16)20-22-17(11-26-20)19(24)23-18-12(2)10-13(3)21-14(18)4/h6-11H,5H2,1-4H3,(H,23,24)
InChIKeyZKLYMMRYJLAGGU-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.78
Rot. Bonds5

About 2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide

2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 78861131) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID78861131
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)Nc3c(C)cc(C)nc3C)cs2)cc1
InChIInChI=1S/C20H21N3O2S/c1-5-25-16-8-6-15(7-9-16)20-22-17(11-26-20)19(24)23-18-12(2)10-13(3)21-14(18)4/h6-11H,5H2,1-4H3,(H,23,24)
InChIKeyZKLYMMRYJLAGGU-UHFFFAOYSA-N
XLogP4.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methylfuran-2-yl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 78870009
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
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-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 32609720
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487
2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
CID 46422350
N-(2,5-dimethyl-4-pyridinyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 167821309
2-(4-ethoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 55765870
2-(4-ethoxyphenyl)-N-[2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 55616686
2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119385999
2-(4-ethoxyphenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 39940519

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 78861131) is 2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)Nc3c(C)cc(C)nc3C)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZKLYMMRYJLAGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-5-25-16-8-6-15(7-9-16)20-22-17(11-26-20)19(24)23-18-12(2)10-13(3)21-14(18)4/h6-11H,5H2,1-4H3,(H,23,24).
What are the key properties of 2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78861131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).