2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide

C24H21N3O3S — CID 2360763

IUPAC2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3cccc(OC)c3)s2)cc1
InChIInChI=1S/C24H21N3O3S/c1-29-19-13-11-17(12-14-19)26-24-27-21(16-7-4-3-5-8-16)22(31-24)23(28)25-18-9-6-10-20(15-18)30-2/h3-15H,1-2H3,(H,25,28)(H,26,27)
InChIKeyBDQAYPWNMTUKPB-UHFFFAOYSA-N
MW431.52 g/mol
LogP5.82
Rot. Bonds7

About 2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide

2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 2360763) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID2360763
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3cccc(OC)c3)s2)cc1
InChIInChI=1S/C24H21N3O3S/c1-29-19-13-11-17(12-14-19)26-24-27-21(16-7-4-3-5-8-16)22(31-24)23(28)25-18-9-6-10-20(15-18)30-2/h3-15H,1-2H3,(H,25,28)(H,26,27)
InChIKeyBDQAYPWNMTUKPB-UHFFFAOYSA-N
XLogP5.82
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-N-(4-methoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 3919463
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CID 30142312
N-(3-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide
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N-(3-methoxyphenyl)-4-phenyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxamide
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2-anilino-4-phenyl-N-pyridin-1-ium-3-yl-1,3-thiazole-5-carboxamide
CID 5049525
2-(3-methoxyphenyl)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 17409593
2-(4-bromoanilino)-N-[(3,5-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 24821892
N-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 18280337
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
N-(4-ethylphenyl)-2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152980
2-amino-N-(3-chloro-4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 2360763) is 2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide is COc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3cccc(OC)c3)s2)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is BDQAYPWNMTUKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-29-19-13-11-17(12-14-19)26-24-27-21(16-7-4-3-5-8-16)22(31-24)23(28)25-18-9-6-10-20(15-18)30-2/h3-15H,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-(3-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 2360763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).