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

C18H20N2S4 — CID 10572618

IUPAC4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-5-propan-2-ylphenyl]-1,3-thiazole-2-thione
SMILESCc1c(-n2c(C)csc2=S)cc(C(C)C)cc1-n1c(C)csc1=S
InChIInChI=1S/C18H20N2S4/c1-10(2)14-6-15(19-11(3)8-23-17(19)21)13(5)16(7-14)20-12(4)9-24-18(20)22/h6-10H,1-5H3
InChIKeyBGXWWZKWXOTJRK-UHFFFAOYSA-N
MW392.64 g/mol
LogP6.90
Rot. Bonds3

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

4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-5-propan-2-ylphenyl]-1,3-thiazole-2-thione (PubChem CID 10572618) has the molecular formula C18H20N2S4 and a molecular weight of 392.64 g/mol. Its IUPAC name is 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-5-propan-2-ylphenyl]-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-5-propan-2-ylphenyl]-1,3-thiazole-2-thione
PubChem CID10572618
Molecular FormulaC18H20N2S4
Molecular Weight392.64 g/mol
Exact Mass392.05
IUPAC Name4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-5-propan-2-ylphenyl]-1,3-thiazole-2-thione
SMILESCc1c(-n2c(C)csc2=S)cc(C(C)C)cc1-n1c(C)csc1=S
InChIInChI=1S/C18H20N2S4/c1-10(2)14-6-15(19-11(3)8-23-17(19)21)13(5)16(7-14)20-12(4)9-24-18(20)22/h6-10H,1-5H3
InChIKeyBGXWWZKWXOTJRK-UHFFFAOYSA-N
XLogP6.90
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.64
LogP ≤ 56.90
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-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-5-propan-2-ylphenyl]-1,3-thiazole-2-thione?
The IUPAC name of 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-5-propan-2-ylphenyl]-1,3-thiazole-2-thione (CID 10572618) is 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-5-propan-2-ylphenyl]-1,3-thiazole-2-thione.
What is the SMILES notation for 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-5-propan-2-ylphenyl]-1,3-thiazole-2-thione?
The canonical SMILES for 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-5-propan-2-ylphenyl]-1,3-thiazole-2-thione is Cc1c(-n2c(C)csc2=S)cc(C(C)C)cc1-n1c(C)csc1=S.
What is the InChIKey of 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-5-propan-2-ylphenyl]-1,3-thiazole-2-thione?
The InChIKey is BGXWWZKWXOTJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S4/c1-10(2)14-6-15(19-11(3)8-23-17(19)21)13(5)16(7-14)20-12(4)9-24-18(20)22/h6-10H,1-5H3.
What are the key properties of 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-5-propan-2-ylphenyl]-1,3-thiazole-2-thione?
4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-5-propan-2-ylphenyl]-1,3-thiazole-2-thione has a molecular weight of 392.64 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-methyl-3-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-5-propan-2-ylphenyl]-1,3-thiazole-2-thione is sourced from PubChem (CID 10572618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).