4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one

C18H20N2OS3 — CID 10690958

IUPAC4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one
SMILESCc1c(C)c(-n2c(C)csc2=O)c(C)c(-n2c(C)csc2=S)c1C
InChIInChI=1S/C18H20N2OS3/c1-9-7-23-17(21)19(9)15-12(4)11(3)13(5)16(14(15)6)20-10(2)8-24-18(20)22/h7-8H,1-6H3
InChIKeyPTTGVKPHVDXWSI-UHFFFAOYSA-N
MW376.57 g/mol
LogP5.33
Rot. Bonds2

About 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one

4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one (PubChem CID 10690958) has the molecular formula C18H20N2OS3 and a molecular weight of 376.57 g/mol. Its IUPAC name is 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one
PubChem CID10690958
Molecular FormulaC18H20N2OS3
Molecular Weight376.57 g/mol
Exact Mass376.07
IUPAC Name4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one
SMILESCc1c(C)c(-n2c(C)csc2=O)c(C)c(-n2c(C)csc2=S)c1C
InChIInChI=1S/C18H20N2OS3/c1-9-7-23-17(21)19(9)15-12(4)11(3)13(5)16(14(15)6)20-10(2)8-24-18(20)22/h7-8H,1-6H3
InChIKeyPTTGVKPHVDXWSI-UHFFFAOYSA-N
XLogP5.33
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.57
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one (CID 10690958) is 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one is Cc1c(C)c(-n2c(C)csc2=O)c(C)c(-n2c(C)csc2=S)c1C.
What is the InChIKey of 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one?
The InChIKey is PTTGVKPHVDXWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS3/c1-9-7-23-17(21)19(9)15-12(4)11(3)13(5)16(14(15)6)20-10(2)8-24-18(20)22/h7-8H,1-6H3.
What are the key properties of 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one?
4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one has a molecular weight of 376.57 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2,3,4,6-tetramethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazol-2-one is sourced from PubChem (CID 10690958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).