N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide

C17H23N3O2S — CID 50753393

IUPACN-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(OCc2nc(C)c(C(=O)NCCN(C)C)s2)cc1
InChIInChI=1S/C17H23N3O2S/c1-12-5-7-14(8-6-12)22-11-15-19-13(2)16(23-15)17(21)18-9-10-20(3)4/h5-8H,9-11H2,1-4H3,(H,18,21)
InChIKeyJRNRWXXOSUMAGV-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.63
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 50753393) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
PubChem CID50753393
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1ccc(OCc2nc(C)c(C(=O)NCCN(C)C)s2)cc1
InChIInChI=1S/C17H23N3O2S/c1-12-5-7-14(8-6-12)22-11-15-19-13(2)16(23-15)17(21)18-9-10-20(3)4/h5-8H,9-11H2,1-4H3,(H,18,21)
InChIKeyJRNRWXXOSUMAGV-UHFFFAOYSA-N
XLogP2.63
TPSA54.46 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-methyl-2-(pyridin-3-yloxymethyl)-1,3-thiazole-5-carboxamide
CID 110341948
N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55546254
N-(3,5-dimethylphenyl)-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 50753382
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 43042198
4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide
CID 43045174
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1,3-thiazole-5-carboxamide
CID 55720156
2-[(3,4-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 50746403
4-methyl-N-(3-methylbutyl)-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936080
N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 24542052
N,4-dimethyl-2-[(4-methylphenoxy)methyl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 18114084
4-methyl-2-[(4-methylphenoxy)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 30587985
N-(2,5-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16616326

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide (CID 50753393) is N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide is Cc1ccc(OCc2nc(C)c(C(=O)NCCN(C)C)s2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is JRNRWXXOSUMAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12-5-7-14(8-6-12)22-11-15-19-13(2)16(23-15)17(21)18-9-10-20(3)4/h5-8H,9-11H2,1-4H3,(H,18,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50753393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).