2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide

C20H18N4O3S2 — CID 16955129

IUPAC2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3nc4ccc(C)cc4s3)cs2)c(OC)c1
InChIInChI=1S/C20H18N4O3S2/c1-11-4-6-14-17(8-11)29-20(22-14)24-18(25)15-10-28-19(23-15)21-13-7-5-12(26-2)9-16(13)27-3/h4-10H,1-3H3,(H,21,23)(H,22,24,25)
InChIKeyLQUJPYZJRBLFGZ-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.07
Rot. Bonds6

About 2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide

2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 16955129) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID16955129
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC Name2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3nc4ccc(C)cc4s3)cs2)c(OC)c1
InChIInChI=1S/C20H18N4O3S2/c1-11-4-6-14-17(8-11)29-20(22-14)24-18(25)15-10-28-19(23-15)21-13-7-5-12(26-2)9-16(13)27-3/h4-10H,1-3H3,(H,21,23)(H,22,24,25)
InChIKeyLQUJPYZJRBLFGZ-UHFFFAOYSA-N
XLogP5.07
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,4-dimethoxyanilino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16955084
2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 39046251
dimethyl 2-[[2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 16955122
N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955163
2-(2,4-dimethoxyanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16955025
2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 16955157
N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16845047
N-cyclohexyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955034
2-(4-ethoxyanilino)-N-(2-methoxy-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16954960
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23910638
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36662741
2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 16955044

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 16955129) is 2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)Nc3nc4ccc(C)cc4s3)cs2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is LQUJPYZJRBLFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/c1-11-4-6-14-17(8-11)29-20(22-14)24-18(25)15-10-28-19(23-15)21-13-7-5-12(26-2)9-16(13)27-3/h4-10H,1-3H3,(H,21,23)(H,22,24,25).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16955129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).