2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide

C25H23N3O2S — CID 50845464

IUPAC2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Nc2nc(C)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)s2)c(C)c1
InChIInChI=1S/C25H23N3O2S/c1-16-9-14-22(17(2)15-16)28-25-26-18(3)23(31-25)24(29)27-19-10-12-21(13-11-19)30-20-7-5-4-6-8-20/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyQRCAPBAUJUKNOH-UHFFFAOYSA-N
MW429.55 g/mol
LogP6.86
Rot. Bonds6

About 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide

2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 50845464) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID50845464
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(Nc2nc(C)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)s2)c(C)c1
InChIInChI=1S/C25H23N3O2S/c1-16-9-14-22(17(2)15-16)28-25-26-18(3)23(31-25)24(29)27-19-10-12-21(13-11-19)30-20-7-5-4-6-8-20/h4-15H,1-3H3,(H,26,28)(H,27,29)
InChIKeyQRCAPBAUJUKNOH-UHFFFAOYSA-N
XLogP6.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 50845444
2-(2-ethoxyanilino)-4-methyl-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152832
2-(2,4-dimethylanilino)-4-methyl-N-(3-propan-2-yloxypropyl)-1,3-thiazole-5-carboxamide
CID 53365550
2-(2,4-dimethylanilino)-4-methyl-N-(4-phenylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 53365539
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942
2-[(dimethylamino)methyl]-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide
CID 110387303
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
N-cycloheptyl-2-(2,4-dimethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365497
N-(4-methoxyphenyl)-4-methyl-2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
CID 53200115
N-(5-chloro-2-phenoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142497
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
N-(3,5-dimethoxyphenyl)-4-methyl-2-(3-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152783

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide (CID 50845464) is 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide is Cc1ccc(Nc2nc(C)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QRCAPBAUJUKNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-16-9-14-22(17(2)15-16)28-25-26-18(3)23(31-25)24(29)27-19-10-12-21(13-11-19)30-20-7-5-4-6-8-20/h4-15H,1-3H3,(H,26,28)(H,27,29).
What are the key properties of 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide?
2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 6.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50845464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).