N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide

C19H17N3O2S — CID 86867681

IUPACN-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3cccc(C(N)=O)c3)cs2)c(C)c1
InChIInChI=1S/C19H17N3O2S/c1-11-6-7-15(12(2)8-11)19-22-16(10-25-19)18(24)21-14-5-3-4-13(9-14)17(20)23/h3-10H,1-2H3,(H2,20,23)(H,21,24)
InChIKeyDURWNHVOEHRRJU-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.78
Rot. Bonds4

About N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide

N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 86867681) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID86867681
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3cccc(C(N)=O)c3)cs2)c(C)c1
InChIInChI=1S/C19H17N3O2S/c1-11-6-7-15(12(2)8-11)19-22-16(10-25-19)18(24)21-14-5-3-4-13(9-14)17(20)23/h3-10H,1-2H3,(H2,20,23)(H,21,24)
InChIKeyDURWNHVOEHRRJU-UHFFFAOYSA-N
XLogP3.78
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide
CID 56522430
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 95778148
N-(3-carbamoylphenyl)-2,5-dimethylbenzamide
CID 17394434
2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 18146251
1-[3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 53338461
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 56507438
2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 116891955
2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
CID 110909676
N-[3-(cyclopropylcarbamoyl)phenyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9361287
2-(4-bromothiophen-2-yl)-N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 60549928
3-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrochloride
CID 2870199

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide (CID 86867681) is N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)Nc3cccc(C(N)=O)c3)cs2)c(C)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DURWNHVOEHRRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-11-6-7-15(12(2)8-11)19-22-16(10-25-19)18(24)21-14-5-3-4-13(9-14)17(20)23/h3-10H,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide?
N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 86867681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).