5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine

C12H14N2S3 — CID 43250120

IUPAC5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1ccc(SCCSc2cnc(N)s2)cc1
InChIInChI=1S/C12H14N2S3/c1-9-2-4-10(5-3-9)15-6-7-16-11-8-14-12(13)17-11/h2-5,8H,6-7H2,1H3,(H2,13,14)
InChIKeyVJSJCUBXSHFICV-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.92
Rot. Bonds5

About 5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine

5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 43250120) has the molecular formula C12H14N2S3 and a molecular weight of 282.46 g/mol. Its IUPAC name is 5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine
PubChem CID43250120
Molecular FormulaC12H14N2S3
Molecular Weight282.46 g/mol
Exact Mass282.03
IUPAC Name5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1ccc(SCCSc2cnc(N)s2)cc1
InChIInChI=1S/C12H14N2S3/c1-9-2-4-10(5-3-9)15-6-7-16-11-8-14-12(13)17-11/h2-5,8H,6-7H2,1H3,(H2,13,14)
InChIKeyVJSJCUBXSHFICV-UHFFFAOYSA-N
XLogP3.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine (CID 43250120) is 5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine is Cc1ccc(SCCSc2cnc(N)s2)cc1.
What is the InChIKey of 5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is VJSJCUBXSHFICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S3/c1-9-2-4-10(5-3-9)15-6-7-16-11-8-14-12(13)17-11/h2-5,8H,6-7H2,1H3,(H2,13,14).
What are the key properties of 5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine?
5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 282.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43250120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).