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

C21H22N2O3S — CID 2089709

IUPACN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
SMILESCCOc1ccc(-c2nc(NC(=O)Cc3cccc(OC)c3)sc2C)cc1
InChIInChI=1S/C21H22N2O3S/c1-4-26-17-10-8-16(9-11-17)20-14(2)27-21(23-20)22-19(24)13-15-6-5-7-18(12-15)25-3/h5-12H,4,13H2,1-3H3,(H,22,23,24)
InChIKeyKPPCJSGTXNHSNM-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.71
Rot. Bonds7

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

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 2089709) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID2089709
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
SMILESCCOc1ccc(-c2nc(NC(=O)Cc3cccc(OC)c3)sc2C)cc1
InChIInChI=1S/C21H22N2O3S/c1-4-26-17-10-8-16(9-11-17)20-14(2)27-21(23-20)22-19(24)13-15-6-5-7-18(12-15)25-3/h5-12H,4,13H2,1-3H3,(H,22,23,24)
InChIKeyKPPCJSGTXNHSNM-UHFFFAOYSA-N
XLogP4.71
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-{N-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}phenyl acetate
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide (CID 2089709) is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide is CCOc1ccc(-c2nc(NC(=O)Cc3cccc(OC)c3)sc2C)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is KPPCJSGTXNHSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-4-26-17-10-8-16(9-11-17)20-14(2)27-21(23-20)22-19(24)13-15-6-5-7-18(12-15)25-3/h5-12H,4,13H2,1-3H3,(H,22,23,24).
What are the key properties of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide?
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 382.49 g/mol, XLogP of 4.71, 7 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]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2089709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).