4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide

C25H23N3O3S — CID 14938757

IUPAC4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCCc3cccnc3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-30-20-9-5-18(6-10-20)22-23(19-7-11-21(31-2)12-8-19)32-25(28-22)24(29)27-15-13-17-4-3-14-26-16-17/h3-12,14,16H,13,15H2,1-2H3,(H,27,29)
InChIKeyAGSWQPGAIUHCOC-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.86
Rot. Bonds8

About 4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide

4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide (PubChem CID 14938757) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide
PubChem CID14938757
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NCCc3cccnc3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-30-20-9-5-18(6-10-20)22-23(19-7-11-21(31-2)12-8-19)32-25(28-22)24(29)27-15-13-17-4-3-14-26-16-17/h3-12,14,16H,13,15H2,1-2H3,(H,27,29)
InChIKeyAGSWQPGAIUHCOC-UHFFFAOYSA-N
XLogP4.86
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide (CID 14938757) is 4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide is COc1ccc(-c2nc(C(=O)NCCc3cccnc3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is AGSWQPGAIUHCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-30-20-9-5-18(6-10-20)22-23(19-7-11-21(31-2)12-8-19)32-25(28-22)24(29)27-15-13-17-4-3-14-26-16-17/h3-12,14,16H,13,15H2,1-2H3,(H,27,29).
What are the key properties of 4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide?
4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 14938757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).