4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole

C23H24N2O2S — CID 11741253

IUPAC4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(C3=CCN(C)CC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O2S/c1-25-14-12-18(13-15-25)23-24-21(16-4-8-19(26-2)9-5-16)22(28-23)17-6-10-20(27-3)11-7-17/h4-12H,13-15H2,1-3H3
InChIKeyYMQSMYMNAQEELV-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.21
Rot. Bonds5

About 4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole

4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole (PubChem CID 11741253) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole
PubChem CID11741253
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(C3=CCN(C)CC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24N2O2S/c1-25-14-12-18(13-15-25)23-24-21(16-4-8-19(26-2)9-5-16)22(28-23)17-6-10-20(27-3)11-7-17/h4-12H,13-15H2,1-3H3
InChIKeyYMQSMYMNAQEELV-UHFFFAOYSA-N
XLogP5.21
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole (CID 11741253) is 4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole is COc1ccc(-c2nc(C3=CCN(C)CC3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole?
The InChIKey is YMQSMYMNAQEELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-25-14-12-18(13-15-25)23-24-21(16-4-8-19(26-2)9-5-16)22(28-23)17-6-10-20(27-3)11-7-17/h4-12H,13-15H2,1-3H3.
What are the key properties of 4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole?
4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole has a molecular weight of 392.52 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole is sourced from PubChem (CID 11741253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).