N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

C24H21N3O2S — CID 46927796

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)n2)cc1
InChIInChI=1S/C24H21N3O2S/c1-16-13-20(11-12-25-16)18-5-3-17(4-6-18)14-23(28)27-24-26-22(15-30-24)19-7-9-21(29-2)10-8-19/h3-13,15H,14H2,1-2H3,(H,26,27,28)
InChIKeyPNGGQWDYDFWAEG-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.37
Rot. Bonds6

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (PubChem CID 46927796) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
PubChem CID46927796
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)n2)cc1
InChIInChI=1S/C24H21N3O2S/c1-16-13-20(11-12-25-16)18-5-3-17(4-6-18)14-23(28)27-24-26-22(15-30-24)19-7-9-21(29-2)10-8-19/h3-13,15H,14H2,1-2H3,(H,26,27,28)
InChIKeyPNGGQWDYDFWAEG-UHFFFAOYSA-N
XLogP5.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide (CID 46927796) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is COc1ccc(-c2csc(NC(=O)Cc3ccc(-c4ccnc(C)c4)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
The InChIKey is PNGGQWDYDFWAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-16-13-20(11-12-25-16)18-5-3-17(4-6-18)14-23(28)27-24-26-22(15-30-24)19-7-9-21(29-2)10-8-19/h3-13,15H,14H2,1-2H3,(H,26,27,28).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide has a molecular weight of 415.52 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 46927796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).