2-(2,4-dimethylanilino)ethanethioamide

C10H14N2S — CID 82075991

IUPAC2-(2,4-dimethylanilino)ethanethioamide
SMILESCc1ccc(NCC(N)=S)c(C)c1
InChIInChI=1S/C10H14N2S/c1-7-3-4-9(8(2)5-7)12-6-10(11)13/h3-5,12H,6H2,1-2H3,(H2,11,13)
InChIKeyQZNHNAZIEDOKNA-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.00
Rot. Bonds3

About 2-(2,4-dimethylanilino)ethanethioamide

2-(2,4-dimethylanilino)ethanethioamide (PubChem CID 82075991) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)ethanethioamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)ethanethioamide
PubChem CID82075991
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-(2,4-dimethylanilino)ethanethioamide
SMILESCc1ccc(NCC(N)=S)c(C)c1
InChIInChI=1S/C10H14N2S/c1-7-3-4-9(8(2)5-7)12-6-10(11)13/h3-5,12H,6H2,1-2H3,(H2,11,13)
InChIKeyQZNHNAZIEDOKNA-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(2,4-dimethylanilino)acetate
CID 28564487
2-(2,4-dimethylphenyl)ethanethioamide
CID 82075040
3-[(2,4-dimethylanilino)methyl]benzamide
CID 28564440
1-(4-bromophenyl)-2-(2,4-dimethylanilino)ethanone
CID 12909509
2,4-dimethyl-N-(3-methylbut-2-enyl)aniline
CID 103604357
3-(2,4-dimethylanilino)-2-methylpropan-1-ol
CID 115871838
2-(2,4-dimethylanilino)-N-prop-2-enylacetamide
CID 39243861
2,4-dimethyl-N-prop-2-enylaniline
CID 11768869
1-(2,4-dimethylanilino)-2-methylbutan-2-ol
CID 114492467
1-tert-butyl-3-(2,4-dimethylphenyl)thiourea
CID 2797643
2-(ethylamino)-5-methylbenzenecarbothioamide
CID 107928326
2-(2-amino-4-methylanilino)acetamide
CID 43349420

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)ethanethioamide?
The IUPAC name of 2-(2,4-dimethylanilino)ethanethioamide (CID 82075991) is 2-(2,4-dimethylanilino)ethanethioamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)ethanethioamide?
The canonical SMILES for 2-(2,4-dimethylanilino)ethanethioamide is Cc1ccc(NCC(N)=S)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)ethanethioamide?
The InChIKey is QZNHNAZIEDOKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-7-3-4-9(8(2)5-7)12-6-10(11)13/h3-5,12H,6H2,1-2H3,(H2,11,13).
What are the key properties of 2-(2,4-dimethylanilino)ethanethioamide?
2-(2,4-dimethylanilino)ethanethioamide has a molecular weight of 194.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)ethanethioamide is sourced from PubChem (CID 82075991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).