N-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide

C23H20N4O3S — CID 24983812

IUPACN-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(OCc3ccccn3)cc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H20N4O3S/c1-16-21(22(29)25-14-17-7-3-2-4-8-17)31-23(26-16)27-12-10-19(13-20(27)28)30-15-18-9-5-6-11-24-18/h2-13H,14-15H2,1H3,(H,25,29)
InChIKeyZIKYKWVGPPTCGJ-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.51
Rot. Bonds7

About N-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide

N-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 24983812) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID24983812
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2ccc(OCc3ccccn3)cc2=O)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H20N4O3S/c1-16-21(22(29)25-14-17-7-3-2-4-8-17)31-23(26-16)27-12-10-19(13-20(27)28)30-15-18-9-5-6-11-24-18/h2-13H,14-15H2,1H3,(H,25,29)
InChIKeyZIKYKWVGPPTCGJ-UHFFFAOYSA-N
XLogP3.51
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide (CID 24983812) is N-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide is Cc1nc(-n2ccc(OCc3ccccn3)cc2=O)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZIKYKWVGPPTCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-16-21(22(29)25-14-17-7-3-2-4-8-17)31-23(26-16)27-12-10-19(13-20(27)28)30-15-18-9-5-6-11-24-18/h2-13H,14-15H2,1H3,(H,25,29).
What are the key properties of N-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide?
N-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24983812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).