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

C17H17N3O2S2 — CID 16560809

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
SMILESCc1ccc(Cn2ccs/c2=N\C(=O)Cn2c(C)csc2=O)cc1
InChIInChI=1S/C17H17N3O2S2/c1-12-3-5-14(6-4-12)9-19-7-8-23-16(19)18-15(21)10-20-13(2)11-24-17(20)22/h3-8,11H,9-10H2,1-2H3/b18-16-
InChIKeyZVZWCKOTACGXSF-VLGSPTGOSA-N
MW359.48 g/mol
LogP2.57
Rot. Bonds4

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

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide (PubChem CID 16560809) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
PubChem CID16560809
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide
SMILESCc1ccc(Cn2ccs/c2=N\C(=O)Cn2c(C)csc2=O)cc1
InChIInChI=1S/C17H17N3O2S2/c1-12-3-5-14(6-4-12)9-19-7-8-23-16(19)18-15(21)10-20-13(2)11-24-17(20)22/h3-8,11H,9-10H2,1-2H3/b18-16-
InChIKeyZVZWCKOTACGXSF-VLGSPTGOSA-N
XLogP2.57
TPSA56.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide (CID 16560809) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide is Cc1ccc(Cn2ccs/c2=N\C(=O)Cn2c(C)csc2=O)cc1.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?
The InChIKey is ZVZWCKOTACGXSF-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-12-3-5-14(6-4-12)9-19-7-8-23-16(19)18-15(21)10-20-13(2)11-24-17(20)22/h3-8,11H,9-10H2,1-2H3/b18-16-.
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide has a molecular weight of 359.48 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]acetamide is sourced from PubChem (CID 16560809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).