N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide

C18H17N3O2S — CID 24660441

IUPACN-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCc1ccc(Cn2ccs/c2=N\C(=O)Cn2ccccc2=O)cc1
InChIInChI=1S/C18H17N3O2S/c1-14-5-7-15(8-6-14)12-21-10-11-24-18(21)19-16(22)13-20-9-3-2-4-17(20)23/h2-11H,12-13H2,1H3/b19-18-
InChIKeyPHPYCJOBOVDHNX-HNENSFHCSA-N
MW339.42 g/mol
LogP2.20
Rot. Bonds4

About N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide

N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 24660441) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID24660441
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCc1ccc(Cn2ccs/c2=N\C(=O)Cn2ccccc2=O)cc1
InChIInChI=1S/C18H17N3O2S/c1-14-5-7-15(8-6-14)12-21-10-11-24-18(21)19-16(22)13-20-9-3-2-4-17(20)23/h2-11H,12-13H2,1H3/b19-18-
InChIKeyPHPYCJOBOVDHNX-HNENSFHCSA-N
XLogP2.20
TPSA56.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide (CID 24660441) is N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide is Cc1ccc(Cn2ccs/c2=N\C(=O)Cn2ccccc2=O)cc1.
What is the InChIKey of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is PHPYCJOBOVDHNX-HNENSFHCSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-14-5-7-15(8-6-14)12-21-10-11-24-18(21)19-16(22)13-20-9-3-2-4-17(20)23/h2-11H,12-13H2,1H3/b19-18-.
What are the key properties of N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide?
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 24660441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).