4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide

C11H16N2S — CID 2984048

IUPAC4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide
SMILESCN(C)C(=S)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H16N2S/c1-12(2)10-7-5-9(6-8-10)11(14)13(3)4/h5-8H,1-4H3
InChIKeyDHDMEGGTXOLWLX-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.99
Rot. Bonds2

About 4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide

4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide (PubChem CID 2984048) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide.

Molecular Properties

Compound Name4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide
PubChem CID2984048
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide
SMILESCN(C)C(=S)c1ccc(N(C)C)cc1
InChIInChI=1S/C11H16N2S/c1-12(2)10-7-5-9(6-8-10)11(14)13(3)4/h5-8H,1-4H3
InChIKeyDHDMEGGTXOLWLX-UHFFFAOYSA-N
XLogP1.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide?
The IUPAC name of 4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide (CID 2984048) is 4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide.
What is the SMILES notation for 4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide?
The canonical SMILES for 4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide is CN(C)C(=S)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide?
The InChIKey is DHDMEGGTXOLWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-12(2)10-7-5-9(6-8-10)11(14)13(3)4/h5-8H,1-4H3.
What are the key properties of 4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide?
4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide has a molecular weight of 208.33 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N,N-dimethylbenzenecarbothioamide is sourced from PubChem (CID 2984048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).