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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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).