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

C21H21N3O2S — CID 84565373

IUPACN-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESC=C(C)COc1ccc(-c2csc(Nc3cccc(NC(C)=O)c3)n2)cc1
InChIInChI=1S/C21H21N3O2S/c1-14(2)12-26-19-9-7-16(8-10-19)20-13-27-21(24-20)23-18-6-4-5-17(11-18)22-15(3)25/h4-11,13H,1,12H2,2-3H3,(H,22,25)(H,23,24)
InChIKeyLHOMCGHEUKXBFZ-UHFFFAOYSA-N
MW379.49 g/mol
LogP5.47
Rot. Bonds7

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

N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide (PubChem CID 84565373) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide
PubChem CID84565373
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESC=C(C)COc1ccc(-c2csc(Nc3cccc(NC(C)=O)c3)n2)cc1
InChIInChI=1S/C21H21N3O2S/c1-14(2)12-26-19-9-7-16(8-10-19)20-13-27-21(24-20)23-18-6-4-5-17(11-18)22-15(3)25/h4-11,13H,1,12H2,2-3H3,(H,22,25)(H,23,24)
InChIKeyLHOMCGHEUKXBFZ-UHFFFAOYSA-N
XLogP5.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.49
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565401
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
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 2715690
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-acetylphenoxy)acetamide
CID 4826568
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 768029

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide (CID 84565373) is N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide is C=C(C)COc1ccc(-c2csc(Nc3cccc(NC(C)=O)c3)n2)cc1.
What is the InChIKey of N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The InChIKey is LHOMCGHEUKXBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14(2)12-26-19-9-7-16(8-10-19)20-13-27-21(24-20)23-18-6-4-5-17(11-18)22-15(3)25/h4-11,13H,1,12H2,2-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide?
N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide has a molecular weight of 379.49 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[4-(2-methylprop-2-enoxy)phenyl]-1,3-thiazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 84565373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).