N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C17H23N3O2S — CID 35622101

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C17H23N3O2S/c1-13-12-23-17(22)20(13)10-9-16(21)19(4)11-14-5-7-15(8-6-14)18(2)3/h5-8,12H,9-11H2,1-4H3
InChIKeyVMEUBVBNMRNAPT-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.33
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 35622101) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID35622101
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C17H23N3O2S/c1-13-12-23-17(22)20(13)10-9-16(21)19(4)11-14-5-7-15(8-6-14)18(2)3/h5-8,12H,9-11H2,1-4H3
InChIKeyVMEUBVBNMRNAPT-UHFFFAOYSA-N
XLogP2.33
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 134063261
N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide
CID 134007067
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 55580900
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide;hydrochloride
CID 119655506
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 60672644
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 78801197
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18097985
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 60669041
5-[[4-(dimethylamino)phenyl]methyl-methylamino]-5-oxopentanoic acid
CID 60953988
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 63939868
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18115832
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 40749930

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 35622101) is N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)N(C)Cc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is VMEUBVBNMRNAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-13-12-23-17(22)20(13)10-9-16(21)19(4)11-14-5-7-15(8-6-14)18(2)3/h5-8,12H,9-11H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 333.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 35622101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).