5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol

C12H14N4OS2 — CID 143874335

IUPAC5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol
SMILESCN(CCS)c1ccc(/N=N/c2nccs2)c(O)c1
InChIInChI=1S/C12H14N4OS2/c1-16(5-6-18)9-2-3-10(11(17)8-9)14-15-12-13-4-7-19-12/h2-4,7-8,17-18H,5-6H2,1H3/b15-14+
InChIKeySQMISVKCPRDCMX-CCEZHUSRSA-N
MW294.41 g/mol
LogP3.63
Rot. Bonds5

About 5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol

5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol (PubChem CID 143874335) has the molecular formula C12H14N4OS2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol.

Molecular Properties

Compound Name5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol
PubChem CID143874335
Molecular FormulaC12H14N4OS2
Molecular Weight294.41 g/mol
Exact Mass294.06
IUPAC Name5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol
SMILESCN(CCS)c1ccc(/N=N/c2nccs2)c(O)c1
InChIInChI=1S/C12H14N4OS2/c1-16(5-6-18)9-2-3-10(11(17)8-9)14-15-12-13-4-7-19-12/h2-4,7-8,17-18H,5-6H2,1H3/b15-14+
InChIKeySQMISVKCPRDCMX-CCEZHUSRSA-N
XLogP3.63
TPSA61.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-N,N'-bis[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]propane-1,3-diamine
CID 121371839
1-[2-[[4-[2-chloroethyl(methyl)amino]-2-hydroxyphenyl]diazenyl]-1,3-thiazol-5-yl]ethanone
CID 143874215
(2,5-dihydroxypyrrol-1-yl) 3-[N-methyl-4-(1,3-thiazol-2-yldiazenyl)anilino]propanoate
CID 90768542
5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol
CID 136648509
N-ethyl-3-methyl-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-4-(1,3-thiazol-2-yldiazenyl)aniline
CID 87432848
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol
CID 135829617
2-[N-(2-hydroxyethyl)-4-(1,3-thiazol-2-yldiazenyl)anilino]ethyl-trimethylazanium iodide
CID 10161719
3-methyl-4-[[3-methyl-4-(1,3-thiazol-2-yldiazenyl)phenyl]diazenyl]aniline
CID 88875036
chloro(1,3-thiazol-2-yl)diazene
CID 71437745
2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol
CID 136611798
6-bromo-1-(1,3-thiazol-2-yldiazenyl)naphthalen-2-ol
CID 135718166
2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]ethanethiol
CID 115223857

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol?
The IUPAC name of 5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol (CID 143874335) is 5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol.
What is the SMILES notation for 5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol?
The canonical SMILES for 5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol is CN(CCS)c1ccc(/N=N/c2nccs2)c(O)c1.
What is the InChIKey of 5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol?
The InChIKey is SQMISVKCPRDCMX-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H14N4OS2/c1-16(5-6-18)9-2-3-10(11(17)8-9)14-15-12-13-4-7-19-12/h2-4,7-8,17-18H,5-6H2,1H3/b15-14+.
What are the key properties of 5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol?
5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol has a molecular weight of 294.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-sulfanylethyl)amino]-2-(1,3-thiazol-2-yldiazenyl)phenol is sourced from PubChem (CID 143874335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).