N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide

C19H18N2O3S — CID 52896563

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ncc(Cc3ccccc3)s2)c1
InChIInChI=1S/C19H18N2O3S/c1-23-15-9-14(10-16(11-15)24-2)18(22)21-19-20-12-17(25-19)8-13-6-4-3-5-7-13/h3-7,9-12H,8H2,1-2H3,(H,20,21,22)
InChIKeyNHWHIIDFLKPTRP-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.00
Rot. Bonds6

About N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide

N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide (PubChem CID 52896563) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
PubChem CID52896563
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ncc(Cc3ccccc3)s2)c1
InChIInChI=1S/C19H18N2O3S/c1-23-15-9-14(10-16(11-15)24-2)18(22)21-19-20-12-17(25-19)8-13-6-4-3-5-7-13/h3-7,9-12H,8H2,1-2H3,(H,20,21,22)
InChIKeyNHWHIIDFLKPTRP-UHFFFAOYSA-N
XLogP4.00
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 39173185
N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 18836083
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dimethoxybenzamide
CID 1303655
N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4270963
N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide
CID 16550274
N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
CID 46969715
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651563
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenylmethoxybenzamide
CID 3974923
N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 46968281
N-(5-benzyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 723009
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-3-(methoxymethyl)benzamide
CID 86920266

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide (CID 52896563) is N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ncc(Cc3ccccc3)s2)c1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide?
The InChIKey is NHWHIIDFLKPTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-23-15-9-14(10-16(11-15)24-2)18(22)21-19-20-12-17(25-19)8-13-6-4-3-5-7-13/h3-7,9-12H,8H2,1-2H3,(H,20,21,22).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide?
N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide has a molecular weight of 354.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 52896563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).