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

C17H23N3O2S — CID 9232326

IUPACN-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCCOCCCNc1nc(-c2ccc(NC(C)=O)cc2)c(C)s1
InChIInChI=1S/C17H23N3O2S/c1-4-22-11-5-10-18-17-20-16(12(2)23-17)14-6-8-15(9-7-14)19-13(3)21/h6-9H,4-5,10-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyRWDMLMYEDLBZKY-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.92
Rot. Bonds8

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

N-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 9232326) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID9232326
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCCOCCCNc1nc(-c2ccc(NC(C)=O)cc2)c(C)s1
InChIInChI=1S/C17H23N3O2S/c1-4-22-11-5-10-18-17-20-16(12(2)23-17)14-6-8-15(9-7-14)19-13(3)21/h6-9H,4-5,10-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyRWDMLMYEDLBZKY-UHFFFAOYSA-N
XLogP3.92
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356331
N-[4-(3-ethoxypropylamino)phenyl]acetamide
CID 65176145
N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356378
2-(3-ethoxypropylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423281
methyl 6-[[4-[4-(2,2-dimethylpropanoylamino)phenyl]-5-methyl-1,3-thiazol-2-yl]amino]hexanoate
CID 9422564
2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 27990329
2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 9343336
4-acetamido-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 9094369
N-butyl-4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 52794394
N-(3-ethoxypropyl)-4-methylaniline
CID 65176643
N-[4-[5-methyl-2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9174136
N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide
CID 9356294

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide (CID 9232326) is N-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide is CCOCCCNc1nc(-c2ccc(NC(C)=O)cc2)c(C)s1.
What is the InChIKey of N-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is RWDMLMYEDLBZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-22-11-5-10-18-17-20-16(12(2)23-17)14-6-8-15(9-7-14)19-13(3)21/h6-9H,4-5,10-11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide?
N-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 333.46 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-ethoxypropylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 9232326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).