N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C17H22N2O3S — CID 82160641

IUPACN-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2sc(NC(C)=O)nc2C)cc1OCC(C)C
InChIInChI=1S/C17H22N2O3S/c1-10(2)9-22-15-8-13(6-7-14(15)21-5)16-11(3)18-17(23-16)19-12(4)20/h6-8,10H,9H2,1-5H3,(H,18,19,20)
InChIKeyUNFPIVFOGCRXBG-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.12
Rot. Bonds6

About N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 82160641) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID82160641
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2sc(NC(C)=O)nc2C)cc1OCC(C)C
InChIInChI=1S/C17H22N2O3S/c1-10(2)9-22-15-8-13(6-7-14(15)21-5)16-11(3)18-17(23-16)19-12(4)20/h6-8,10H,9H2,1-5H3,(H,18,19,20)
InChIKeyUNFPIVFOGCRXBG-UHFFFAOYSA-N
XLogP4.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-ethoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 94774414
[5-(3-butoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]hydrazine
CID 94775314
3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide
CID 24658706
5-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 94701090
N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 155055805
5-[2-(hexanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzamide
CID 175592124
N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 71550486
N-[5-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 82161324
N-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 71549649
N-[5-[3-[[4-hydroxy-3-(2-methylpropyl)phenyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 154677931
N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 82342336
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 55993818

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 82160641) is N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2sc(NC(C)=O)nc2C)cc1OCC(C)C.
What is the InChIKey of N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is UNFPIVFOGCRXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-10(2)9-22-15-8-13(6-7-14(15)21-5)16-11(3)18-17(23-16)19-12(4)20/h6-8,10H,9H2,1-5H3,(H,18,19,20).
What are the key properties of N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 334.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-methoxy-3-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 82160641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).