3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one

C17H18N2O2S2 — CID 10688946

IUPAC3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(-c2cccc(-n3c(C)c(C)sc3=O)c2C)c1C
InChIInChI=1S/C17H18N2O2S2/c1-9-14(18-10(2)12(4)22-16(18)20)7-6-8-15(9)19-11(3)13(5)23-17(19)21/h6-8H,1-5H3
InChIKeyWITDTZQOHHLIHS-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.65
Rot. Bonds2

About 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 10688946) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID10688946
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC Name3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(-c2cccc(-n3c(C)c(C)sc3=O)c2C)c1C
InChIInChI=1S/C17H18N2O2S2/c1-9-14(18-10(2)12(4)22-16(18)20)7-6-8-15(9)19-11(3)13(5)23-17(19)21/h6-8H,1-5H3
InChIKeyWITDTZQOHHLIHS-UHFFFAOYSA-N
XLogP3.65
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 10688946) is 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(-c2cccc(-n3c(C)c(C)sc3=O)c2C)c1C.
What is the InChIKey of 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is WITDTZQOHHLIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-9-14(18-10(2)12(4)22-16(18)20)7-6-8-15(9)19-11(3)13(5)23-17(19)21/h6-8H,1-5H3.
What are the key properties of 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 346.48 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-2-methylphenyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 10688946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).