2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide

C22H18N4O2S — CID 48987270

IUPAC2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)Nc3cccc(Oc4ncccn4)c3)s2)c(C)c1
InChIInChI=1S/C22H18N4O2S/c1-14-7-8-18(15(2)11-14)21-25-13-19(29-21)20(27)26-16-5-3-6-17(12-16)28-22-23-9-4-10-24-22/h3-13H,1-2H3,(H,26,27)
InChIKeyWUFWDLOKHJKFIT-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.26
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide

2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 48987270) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID48987270
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)Nc3cccc(Oc4ncccn4)c3)s2)c(C)c1
InChIInChI=1S/C22H18N4O2S/c1-14-7-8-18(15(2)11-14)21-25-13-19(29-21)20(27)26-16-5-3-6-17(12-16)28-22-23-9-4-10-24-22/h3-13H,1-2H3,(H,26,27)
InChIKeyWUFWDLOKHJKFIT-UHFFFAOYSA-N
XLogP5.26
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethylphenyl)-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 49015979
2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide
CID 51090175
(2S)-2-cyano-3-[2-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]-N-methyl-3-oxopropanamide
CID 98470558
4-chloro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262452
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxamide
CID 48980197
2,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302232
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31505872
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
cis-(1S,2R)-2-methyl-N-(3-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 94096800
4-nitro-N-(3-pyrimidin-2-yloxyphenyl)benzamide
CID 39262446
N-(2,5-dimethylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46484824
2-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)thiophene-2,5-dicarboxamide
CID 71934170

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide (CID 48987270) is 2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide is Cc1ccc(-c2ncc(C(=O)Nc3cccc(Oc4ncccn4)c3)s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WUFWDLOKHJKFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-14-7-8-18(15(2)11-14)21-25-13-19(29-21)20(27)26-16-5-3-6-17(12-16)28-22-23-9-4-10-24-22/h3-13H,1-2H3,(H,26,27).
What are the key properties of 2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide?
2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-(3-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48987270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).