N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide

C19H19N3O2S — CID 1096806

IUPACN-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)N(C)Cc3ccccc3)cs2)cc1
InChIInChI=1S/C19H19N3O2S/c1-22(12-14-6-4-3-5-7-14)18(23)17-13-25-19(21-17)20-15-8-10-16(24-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,20,21)
InChIKeyLAKAILIBGZXITQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.17
Rot. Bonds6

About N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide

N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 1096806) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID1096806
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)N(C)Cc3ccccc3)cs2)cc1
InChIInChI=1S/C19H19N3O2S/c1-22(12-14-6-4-3-5-7-14)18(23)17-13-25-19(21-17)20-15-8-10-16(24-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,20,21)
InChIKeyLAKAILIBGZXITQ-UHFFFAOYSA-N
XLogP4.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813196
N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 109369513
N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84556290
2-(4-methoxyanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3663502
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 166203011
2-anilino-N-benzyl-N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46136477
N-benzyl-5-(4-methoxyphenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 6621305
2-acetamido-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 43072331
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813224
N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813227
2-(4-methoxyphenyl)-N-methyl-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 55710289
N-benzyl-2-[(2,6-dimethoxyphenoxy)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46003452

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide (CID 1096806) is N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)N(C)Cc3ccccc3)cs2)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is LAKAILIBGZXITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-22(12-14-6-4-3-5-7-14)18(23)17-13-25-19(21-17)20-15-8-10-16(24-2)11-9-15/h3-11,13H,12H2,1-2H3,(H,20,21).
What are the key properties of N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide?
N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxyanilino)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1096806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).