4-methyl-3-[2,3,4-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione

C17H18N2S4 — CID 10619678

IUPAC4-methyl-3-[2,3,4-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione
SMILESCc1c(-n2c(C)csc2=S)cc(-n2c(C)csc2=S)c(C)c1C
InChIInChI=1S/C17H18N2S4/c1-9-7-22-16(20)18(9)14-6-15(13(5)11(3)12(14)4)19-10(2)8-23-17(19)21/h6-8H,1-5H3
InChIKeyWKEDIFKJFSLRIG-UHFFFAOYSA-N
MW378.61 g/mol
LogP6.39
Rot. Bonds2

About 4-methyl-3-[2,3,4-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione

4-methyl-3-[2,3,4-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione (PubChem CID 10619678) has the molecular formula C17H18N2S4 and a molecular weight of 378.61 g/mol. Its IUPAC name is 4-methyl-3-[2,3,4-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-[2,3,4-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione
PubChem CID10619678
Molecular FormulaC17H18N2S4
Molecular Weight378.61 g/mol
Exact Mass378.04
IUPAC Name4-methyl-3-[2,3,4-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione
SMILESCc1c(-n2c(C)csc2=S)cc(-n2c(C)csc2=S)c(C)c1C
InChIInChI=1S/C17H18N2S4/c1-9-7-22-16(20)18(9)14-6-15(13(5)11(3)12(14)4)19-10(2)8-23-17(19)21/h6-8H,1-5H3
InChIKeyWKEDIFKJFSLRIG-UHFFFAOYSA-N
XLogP6.39
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.61
LogP ≤ 56.39
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-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione?
The IUPAC name of 4-methyl-3-[2,3,4-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione (CID 10619678) is 4-methyl-3-[2,3,4-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 4-methyl-3-[2,3,4-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione?
The canonical SMILES for 4-methyl-3-[2,3,4-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione is Cc1c(-n2c(C)csc2=S)cc(-n2c(C)csc2=S)c(C)c1C.
What is the InChIKey of 4-methyl-3-[2,3,4-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione?
The InChIKey is WKEDIFKJFSLRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S4/c1-9-7-22-16(20)18(9)14-6-15(13(5)11(3)12(14)4)19-10(2)8-23-17(19)21/h6-8H,1-5H3.
What are the key properties of 4-methyl-3-[2,3,4-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione?
4-methyl-3-[2,3,4-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione has a molecular weight of 378.61 g/mol, XLogP of 6.39, 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-trimethyl-5-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)phenyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 10619678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).