2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C24H21N3O3S — CID 174737059

IUPAC2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc(Oc2c(C)cc(-c3csc(-c4cc(C(N)=O)ccn4)n3)cc2C)cc1
InChIInChI=1S/C24H21N3O3S/c1-14-10-17(11-15(2)22(14)30-19-6-4-18(29-3)5-7-19)21-13-31-24(27-21)20-12-16(23(25)28)8-9-26-20/h4-13H,1-3H3,(H2,25,28)
InChIKeyLLZBXNVBAWFDPE-UHFFFAOYSA-N
MW431.52 g/mol
LogP5.39
Rot. Bonds6

About 2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 174737059) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID174737059
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc(Oc2c(C)cc(-c3csc(-c4cc(C(N)=O)ccn4)n3)cc2C)cc1
InChIInChI=1S/C24H21N3O3S/c1-14-10-17(11-15(2)22(14)30-19-6-4-18(29-3)5-7-19)21-13-31-24(27-21)20-12-16(23(25)28)8-9-26-20/h4-13H,1-3H3,(H2,25,28)
InChIKeyLLZBXNVBAWFDPE-UHFFFAOYSA-N
XLogP5.39
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,4-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 156013465
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
CID 10094283
N-(4-(4-(4-Methoxyphenoxy)-2,6-dimethylphenyl)thiazol-2-yl)isonicotinamide
CID 53389629
2-Fluoro-N-[4-[4-(4-methoxyphenoxy)-2,6-dimethylphenyl]thiazol-2-yl]isonicotinamide
CID 53389651
N-[4-[2,6-dimethyl-4-(4-methylphenoxy)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442386
N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442428
N-[4-(2,6-dimethyl-4-phenoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442548
N-[4-[4-(4-ethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442549
N-(4-{4-(4-(2-Methoxyethoxy)phenoxy)-2,6-dimethylphenyl}thiazol-2-yl)isonicotinamide
CID 86690848
N-(4-{4-(4-(3-Methoxypropoxy)phenoxy)-2,6-dimethylphenyl}thiazol-2-yl)isonicotinamide
CID 86690870
4-(4-Methoxy-3-methylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 885223
4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide
CID 14938757

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 174737059) is 2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is COc1ccc(Oc2c(C)cc(-c3csc(-c4cc(C(N)=O)ccn4)n3)cc2C)cc1.
What is the InChIKey of 2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is LLZBXNVBAWFDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c1-14-10-17(11-15(2)22(14)30-19-6-4-18(29-3)5-7-19)21-13-31-24(27-21)20-12-16(23(25)28)8-9-26-20/h4-13H,1-3H3,(H2,25,28).
What are the key properties of 2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 174737059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).