N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide

C21H23N3O3S — CID 84565401

IUPACN-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCCOc1ccc(-c2csc(Nc3cccc(NC(C)=O)c3)n2)cc1OCC
InChIInChI=1S/C21H23N3O3S/c1-4-26-19-10-9-15(11-20(19)27-5-2)18-13-28-21(24-18)23-17-8-6-7-16(12-17)22-14(3)25/h6-13H,4-5H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyRUAYQOFLGVYSOZ-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.31
Rot. Bonds8

About N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide

N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (PubChem CID 84565401) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
PubChem CID84565401
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCCOc1ccc(-c2csc(Nc3cccc(NC(C)=O)c3)n2)cc1OCC
InChIInChI=1S/C21H23N3O3S/c1-4-26-19-10-9-15(11-20(19)27-5-2)18-13-28-21(24-18)23-17-8-6-7-16(12-17)22-14(3)25/h6-13H,4-5H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyRUAYQOFLGVYSOZ-UHFFFAOYSA-N
XLogP5.31
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565373
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
N-[3-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564813
N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565384
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 2715692
N-[3-[[4-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565421
N-[3-[[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565422
3-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 4224537
N-[3-[[4-(2-methoxy-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565397

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide (CID 84565401) is N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is CCOc1ccc(-c2csc(Nc3cccc(NC(C)=O)c3)n2)cc1OCC.
What is the InChIKey of N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The InChIKey is RUAYQOFLGVYSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-4-26-19-10-9-15(11-20(19)27-5-2)18-13-28-21(24-18)23-17-8-6-7-16(12-17)22-14(3)25/h6-13H,4-5H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide has a molecular weight of 397.50 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 84565401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).