1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine

C11H14N4S — CID 14002389

IUPAC1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine
SMILESCCS1=NC(c2ccc(C)cc2)=NC(N)=N1
InChIInChI=1S/C11H14N4S/c1-3-16-14-10(13-11(12)15-16)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyOUASDWCFUDGDFP-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.81
Rot. Bonds2

About 1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine

1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine (PubChem CID 14002389) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine.

Molecular Properties

Compound Name1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine
PubChem CID14002389
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine
SMILESCCS1=NC(c2ccc(C)cc2)=NC(N)=N1
InChIInChI=1S/C11H14N4S/c1-3-16-14-10(13-11(12)15-16)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,12,13,14,15)
InChIKeyOUASDWCFUDGDFP-UHFFFAOYSA-N
XLogP1.81
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methylbenzene-1-carboximidamide hydrochloride
CID 122753
3-Phenyl-1,2,4-thiadiazole-5-thiol
CID 2795839
N'-Cyanobenzenecarboximidamide
CID 270782
4-Toluamidine
CID 122754
1,4-Benzenedicarboximidamide
CID 159756
N-methylbenzenecarboximidamide hydrochloride
CID 12375797
N-Methylbenzamidine
CID 169564
Benzenecarboximidamide, N-(1,1-dimethylethyl)_
CID 181753
3-(4-Methylphenyl)-1,2,4-thiadiazole-5(2H)-thione
CID 13762947
CH3/CF3 TTA-Cl
CID 139135775
3-(4-Methylphenyl)-6-(methylsulfanyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 12535563
4-Methylbenzene-1-carbohydrazonamide
CID 11378582

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine?
The IUPAC name of 1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine (CID 14002389) is 1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine.
What is the SMILES notation for 1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine?
The canonical SMILES for 1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine is CCS1=NC(c2ccc(C)cc2)=NC(N)=N1.
What is the InChIKey of 1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine?
The InChIKey is OUASDWCFUDGDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-3-16-14-10(13-11(12)15-16)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine?
1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine has a molecular weight of 234.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-methylphenyl)-1λ4-thia-2,4,6-triazacyclohexa-2,4,6-trien-3-amine is sourced from PubChem (CID 14002389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).