2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

C20H21N3O4S — CID 16955044

IUPAC2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)NCc3ccccc3OC)cs2)c(OC)c1
InChIInChI=1S/C20H21N3O4S/c1-25-14-8-9-15(18(10-14)27-3)22-20-23-16(12-28-20)19(24)21-11-13-6-4-5-7-17(13)26-2/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyKOQANFBJIRSQLL-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.84
Rot. Bonds8

About 2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 16955044) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID16955044
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)NCc3ccccc3OC)cs2)c(OC)c1
InChIInChI=1S/C20H21N3O4S/c1-25-14-8-9-15(18(10-14)27-3)22-20-23-16(12-28-20)19(24)21-11-13-6-4-5-7-17(13)26-2/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyKOQANFBJIRSQLL-UHFFFAOYSA-N
XLogP3.84
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,4-dimethoxyanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16955025
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955046
2-(2,4-dimethoxyanilino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16955084
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190229
5-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282254
N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955163
N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16845047
2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 50830665
N-cyclohexyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955034
N-[(2-methoxyphenyl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694211
2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66372645
5-(2,4-dimethoxyanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188212

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 16955044) is 2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)NCc3ccccc3OC)cs2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KOQANFBJIRSQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-25-14-8-9-15(18(10-14)27-3)22-20-23-16(12-28-20)19(24)21-11-13-6-4-5-7-17(13)26-2/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16955044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).