2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine

C20H27N5OS4 — CID 159432367

IUPAC2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine
SMILESC=Cc1nc(C)cs1.COc1nc(C)cs1.Cc1csc(C)n1.Cc1csc(N)n1
InChIInChI=1S/C6H7NS.C5H7NOS.C5H7NS.C4H6N2S/c1-3-6-7-5(2)4-8-6;1-4-3-8-5(6-4)7-2;1-4-3-7-5(2)6-4;1-3-2-7-4(5)6-3/h3-4H,1H2,2H3;3H,1-2H3;3H,1-2H3;2H,1H3,(H2,5,6)
InChIKeyLRDJUWPZXZKFGJ-UHFFFAOYSA-N
MW481.74 g/mol
LogP6.35
Rot. Bonds2

About 2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine

2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine (PubChem CID 159432367) has the molecular formula C20H27N5OS4 and a molecular weight of 481.74 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine
PubChem CID159432367
Molecular FormulaC20H27N5OS4
Molecular Weight481.74 g/mol
Exact Mass481.11
IUPAC Name2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine
SMILESC=Cc1nc(C)cs1.COc1nc(C)cs1.Cc1csc(C)n1.Cc1csc(N)n1
InChIInChI=1S/C6H7NS.C5H7NOS.C5H7NS.C4H6N2S/c1-3-6-7-5(2)4-8-6;1-4-3-8-5(6-4)7-2;1-4-3-7-5(2)6-4;1-3-2-7-4(5)6-3/h3-4H,1H2,2H3;3H,1-2H3;3H,1-2H3;2H,1H3,(H2,5,6)
InChIKeyLRDJUWPZXZKFGJ-UHFFFAOYSA-N
XLogP6.35
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.74
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine (CID 159432367) is 2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine is C=Cc1nc(C)cs1.COc1nc(C)cs1.Cc1csc(C)n1.Cc1csc(N)n1.
What is the InChIKey of 2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine?
The InChIKey is LRDJUWPZXZKFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS.C5H7NOS.C5H7NS.C4H6N2S/c1-3-6-7-5(2)4-8-6;1-4-3-8-5(6-4)7-2;1-4-3-7-5(2)6-4;1-3-2-7-4(5)6-3/h3-4H,1H2,2H3;3H,1-2H3;3H,1-2H3;2H,1H3,(H2,5,6).
What are the key properties of 2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine?
2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine has a molecular weight of 481.74 g/mol, XLogP of 6.35, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-thiazole;2-ethenyl-4-methyl-1,3-thiazole;2-methoxy-4-methyl-1,3-thiazole;4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 159432367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).