N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide

C20H20N2O2S2 — CID 8610429

IUPACN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
SMILESCCOc1ccc(-c2nc(NC(=O)c3cccc(SC)c3)sc2C)cc1
InChIInChI=1S/C20H20N2O2S2/c1-4-24-16-10-8-14(9-11-16)18-13(2)26-20(21-18)22-19(23)15-6-5-7-17(12-15)25-3/h5-12H,4H2,1-3H3,(H,21,22,23)
InChIKeyLIEJODSGQLBNPZ-UHFFFAOYSA-N
MW384.53 g/mol
LogP5.49
Rot. Bonds6

About N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide (PubChem CID 8610429) has the molecular formula C20H20N2O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
PubChem CID8610429
Molecular FormulaC20H20N2O2S2
Molecular Weight384.53 g/mol
Exact Mass384.10
IUPAC NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
SMILESCCOc1ccc(-c2nc(NC(=O)c3cccc(SC)c3)sc2C)cc1
InChIInChI=1S/C20H20N2O2S2/c1-4-24-16-10-8-14(9-11-16)18-13(2)26-20(21-18)22-19(23)15-6-5-7-17(12-15)25-3/h5-12H,4H2,1-3H3,(H,21,22,23)
InChIKeyLIEJODSGQLBNPZ-UHFFFAOYSA-N
XLogP5.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 5203850
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 17433529
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4557450
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4200975
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2102510
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 3323337
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993148
2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696405
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 2677955
4-(dibutylsulfamoyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3598751
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-triethoxybenzamide
CID 19211561

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide (CID 8610429) is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide is CCOc1ccc(-c2nc(NC(=O)c3cccc(SC)c3)sc2C)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide?
The InChIKey is LIEJODSGQLBNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S2/c1-4-24-16-10-8-14(9-11-16)18-13(2)26-20(21-18)22-19(23)15-6-5-7-17(12-15)25-3/h5-12H,4H2,1-3H3,(H,21,22,23).
What are the key properties of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide?
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide has a molecular weight of 384.53 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide is sourced from PubChem (CID 8610429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).