2-(4-amino-3,5-dimethylphenyl)ethanethioamide

C10H14N2S — CID 174722251

IUPAC2-(4-amino-3,5-dimethylphenyl)ethanethioamide
SMILESCc1cc(CC(N)=S)cc(C)c1N
InChIInChI=1S/C10H14N2S/c1-6-3-8(5-9(11)13)4-7(2)10(6)12/h3-4H,5,12H2,1-2H3,(H2,11,13)
InChIKeyYHZCXAJOSIPZQW-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.71
Rot. Bonds2

About 2-(4-amino-3,5-dimethylphenyl)ethanethioamide

2-(4-amino-3,5-dimethylphenyl)ethanethioamide (PubChem CID 174722251) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylphenyl)ethanethioamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylphenyl)ethanethioamide
PubChem CID174722251
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-(4-amino-3,5-dimethylphenyl)ethanethioamide
SMILESCc1cc(CC(N)=S)cc(C)c1N
InChIInChI=1S/C10H14N2S/c1-6-3-8(5-9(11)13)4-7(2)10(6)12/h3-4H,5,12H2,1-2H3,(H2,11,13)
InChIKeyYHZCXAJOSIPZQW-UHFFFAOYSA-N
XLogP1.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylphenyl)ethanethioamide?
The IUPAC name of 2-(4-amino-3,5-dimethylphenyl)ethanethioamide (CID 174722251) is 2-(4-amino-3,5-dimethylphenyl)ethanethioamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylphenyl)ethanethioamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylphenyl)ethanethioamide is Cc1cc(CC(N)=S)cc(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylphenyl)ethanethioamide?
The InChIKey is YHZCXAJOSIPZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-6-3-8(5-9(11)13)4-7(2)10(6)12/h3-4H,5,12H2,1-2H3,(H2,11,13).
What are the key properties of 2-(4-amino-3,5-dimethylphenyl)ethanethioamide?
2-(4-amino-3,5-dimethylphenyl)ethanethioamide has a molecular weight of 194.30 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylphenyl)ethanethioamide is sourced from PubChem (CID 174722251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).