N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide

C22H24N2O3S — CID 46553417

IUPACN-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1csc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C22H24N2O3S/c1-4-13-24(14-16-9-6-5-7-10-16)22(25)18-15-28-21(23-18)17-11-8-12-19(26-2)20(17)27-3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyCQJCWWHFHLTABH-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.88
Rot. Bonds8

About N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide

N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 46553417) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID46553417
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1csc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C22H24N2O3S/c1-4-13-24(14-16-9-6-5-7-10-16)22(25)18-15-28-21(23-18)17-11-8-12-19(26-2)20(17)27-3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyCQJCWWHFHLTABH-UHFFFAOYSA-N
XLogP4.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-(2,3-dimethoxyphenyl)-N-phenyl-1,3-thiazole-4-carboxamide
CID 24672160
N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 36716067
2-(2,3-dimethoxyphenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-thiazole-4-carboxamide
CID 37271822
2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 46560358
N-benzyl-2-[2-[2-(2,3-dimethoxyphenyl)ethyl-propylcarbamoyl]phenyl]-N-ethylbenzamide
CID 151577467
2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide
CID 66388279
N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067249
N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46003452
2-(2,3-dimethoxyphenyl)-N-(1-propylbenzimidazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36717326
2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 146154055
ethyl 4-[2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 36759632
N-benzyl-N-(2-hydroxyethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 110900035

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide (CID 46553417) is N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide is CCCN(Cc1ccccc1)C(=O)c1csc(-c2cccc(OC)c2OC)n1.
What is the InChIKey of N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is CQJCWWHFHLTABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-4-13-24(14-16-9-6-5-7-10-16)22(25)18-15-28-21(23-18)17-11-8-12-19(26-2)20(17)27-3/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide?
N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,3-dimethoxyphenyl)-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46553417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).