4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine

C12H14N2S3 — CID 79222133

IUPAC4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCSc1ccccc1
InChIInChI=1S/C12H14N2S3/c1-9-11(17-12(13)14-9)16-8-7-15-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,14)
InChIKeySEXKWFAVSDAQHH-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.92
Rot. Bonds5

About 4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine

4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 79222133) has the molecular formula C12H14N2S3 and a molecular weight of 282.46 g/mol. Its IUPAC name is 4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine
PubChem CID79222133
Molecular FormulaC12H14N2S3
Molecular Weight282.46 g/mol
Exact Mass282.03
IUPAC Name4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCSc1ccccc1
InChIInChI=1S/C12H14N2S3/c1-9-11(17-12(13)14-9)16-8-7-15-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,14)
InChIKeySEXKWFAVSDAQHH-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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Related Compounds

3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-phenylpropanamide
CID 43250458
4-methyl-5-(phenylmethoxymethylsulfanyl)-1,3-thiazol-2-amine
CID 102939748
5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine
CID 29006653
4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine
CID 43129559
4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine
CID 43250574
5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 113427109
5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 43250718
4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 62698614
5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 114525516
5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 43250689
5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
CID 61483393
4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine
CID 79267623

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine (CID 79222133) is 4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1SCCSc1ccccc1.
What is the InChIKey of 4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is SEXKWFAVSDAQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S3/c1-9-11(17-12(13)14-9)16-8-7-15-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,14).
What are the key properties of 4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine?
4-methyl-5-(2-phenylsulfanylethylsulfanyl)-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 4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79222133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).