N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide

C17H23N3O2S — CID 119584095

IUPACN-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
SMILESCCOc1ccc(-c2nc(CC(=O)N(C)C(C)CN)cs2)cc1
InChIInChI=1S/C17H23N3O2S/c1-4-22-15-7-5-13(6-8-15)17-19-14(11-23-17)9-16(21)20(3)12(2)10-18/h5-8,11-12H,4,9-10,18H2,1-3H3
InChIKeyJZYYPVUJNDAFTN-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.56
Rot. Bonds7

About N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide

N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide (PubChem CID 119584095) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
PubChem CID119584095
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
SMILESCCOc1ccc(-c2nc(CC(=O)N(C)C(C)CN)cs2)cc1
InChIInChI=1S/C17H23N3O2S/c1-4-22-15-7-5-13(6-8-15)17-19-14(11-23-17)9-16(21)20(3)12(2)10-18/h5-8,11-12H,4,9-10,18H2,1-3H3
InChIKeyJZYYPVUJNDAFTN-UHFFFAOYSA-N
XLogP2.56
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminopropan-2-yl)-2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119584696
N-(1-aminopropan-2-yl)-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119583421
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 55670001
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 55583411
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-phenyl-N-propan-2-ylacetamide
CID 52663114
3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]propanoic acid
CID 119207484
N-(1-aminopropan-2-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methylacetamide
CID 119584983
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553361
N-(cyclohexylmethyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55585906
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159789278
N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 46586397

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide (CID 119584095) is N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide is CCOc1ccc(-c2nc(CC(=O)N(C)C(C)CN)cs2)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
The InChIKey is JZYYPVUJNDAFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-22-15-7-5-13(6-8-15)17-19-14(11-23-17)9-16(21)20(3)12(2)10-18/h5-8,11-12H,4,9-10,18H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide?
N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide has a molecular weight of 333.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 119584095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).