4-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione

C12H13NOS2 — CID 130209684

IUPAC4-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione
SMILESCOc1ccc(C)cc1-c1csc(=S)n1C
InChIInChI=1S/C12H13NOS2/c1-8-4-5-11(14-3)9(6-8)10-7-16-12(15)13(10)2/h4-7H,1-3H3
InChIKeyIBZGCDAEIOMXEX-UHFFFAOYSA-N
MW251.38 g/mol
LogP3.80
Rot. Bonds2

About 4-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione

4-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione (PubChem CID 130209684) has the molecular formula C12H13NOS2 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione
PubChem CID130209684
Molecular FormulaC12H13NOS2
Molecular Weight251.38 g/mol
Exact Mass251.04
IUPAC Name4-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione
SMILESCOc1ccc(C)cc1-c1csc(=S)n1C
InChIInChI=1S/C12H13NOS2/c1-8-4-5-11(14-3)9(6-8)10-7-16-12(15)13(10)2/h4-7H,1-3H3
InChIKeyIBZGCDAEIOMXEX-UHFFFAOYSA-N
XLogP3.80
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione (CID 130209684) is 4-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione is COc1ccc(C)cc1-c1csc(=S)n1C.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione?
The InChIKey is IBZGCDAEIOMXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS2/c1-8-4-5-11(14-3)9(6-8)10-7-16-12(15)13(10)2/h4-7H,1-3H3.
What are the key properties of 4-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione?
4-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione has a molecular weight of 251.38 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-3-methyl-1,3-thiazole-2-thione is sourced from PubChem (CID 130209684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).