4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine

C11H12N2S2 — CID 122183917

IUPAC4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCSc1cccc(Nc2nc(C)cs2)c1
InChIInChI=1S/C11H12N2S2/c1-8-7-15-11(12-8)13-9-4-3-5-10(6-9)14-2/h3-7H,1-2H3,(H,12,13)
InChIKeyHXPSXBKDXWDWFS-UHFFFAOYSA-N
MW236.37 g/mol
LogP3.92
Rot. Bonds3

About 4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine

4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine (PubChem CID 122183917) has the molecular formula C11H12N2S2 and a molecular weight of 236.37 g/mol. Its IUPAC name is 4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
PubChem CID122183917
Molecular FormulaC11H12N2S2
Molecular Weight236.37 g/mol
Exact Mass236.04
IUPAC Name4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
SMILESCSc1cccc(Nc2nc(C)cs2)c1
InChIInChI=1S/C11H12N2S2/c1-8-7-15-11(12-8)13-9-4-3-5-10(6-9)14-2/h3-7H,1-2H3,(H,12,13)
InChIKeyHXPSXBKDXWDWFS-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine (CID 122183917) is 4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine is CSc1cccc(Nc2nc(C)cs2)c1.
What is the InChIKey of 4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
The InChIKey is HXPSXBKDXWDWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c1-8-7-15-11(12-8)13-9-4-3-5-10(6-9)14-2/h3-7H,1-2H3,(H,12,13).
What are the key properties of 4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine?
4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine has a molecular weight of 236.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 122183917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).