N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C21H22N2O3S — CID 55804099

IUPACN-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOCCOc1cccc(CNC(=O)c2sc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C21H22N2O3S/c1-15-19(27-21(23-15)17-8-4-3-5-9-17)20(24)22-14-16-7-6-10-18(13-16)26-12-11-25-2/h3-10,13H,11-12,14H2,1-2H3,(H,22,24)
InChIKeySAJZGROSIYRWLU-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.07
Rot. Bonds8

About N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 55804099) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID55804099
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCOCCOc1cccc(CNC(=O)c2sc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C21H22N2O3S/c1-15-19(27-21(23-15)17-8-4-3-5-9-17)20(24)22-14-16-7-6-10-18(13-16)26-12-11-25-2/h3-10,13H,11-12,14H2,1-2H3,(H,22,24)
InChIKeySAJZGROSIYRWLU-UHFFFAOYSA-N
XLogP4.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55787475
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46424700
2-(4-methoxyphenyl)-4-methyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 22830449
4-methyl-2-[3-(2-phenylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20991003
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 121137383
N-benzyl-4-methyl-2-(1H-pyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 73213268
N-[(4-acetamidophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 24628898
2-benzyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801218
2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 86946620
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 119099649
N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18279656

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 55804099) is N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is COCCOc1cccc(CNC(=O)c2sc(-c3ccccc3)nc2C)c1.
What is the InChIKey of N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is SAJZGROSIYRWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-15-19(27-21(23-15)17-8-4-3-5-9-17)20(24)22-14-16-7-6-10-18(13-16)26-12-11-25-2/h3-10,13H,11-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55804099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).