N-(tert-butylcarbamothioyl)benzamide

C12H16N2OS — CID 909198

IUPACN-(tert-butylcarbamothioyl)benzamide
SMILESCC(C)(C)NC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C12H16N2OS/c1-12(2,3)14-11(16)13-10(15)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,13,14,15,16)
InChIKeyIAHAXKLLYOLNNP-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.09
Rot. Bonds1

About N-(tert-butylcarbamothioyl)benzamide

N-(tert-butylcarbamothioyl)benzamide (PubChem CID 909198) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(tert-butylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(tert-butylcarbamothioyl)benzamide
PubChem CID909198
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(tert-butylcarbamothioyl)benzamide
SMILESCC(C)(C)NC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C12H16N2OS/c1-12(2,3)14-11(16)13-10(15)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,13,14,15,16)
InChIKeyIAHAXKLLYOLNNP-UHFFFAOYSA-N
XLogP2.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(tert-butylcarbamothioyl)benzamide 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 N-(tert-butylcarbamothioyl)benzamide?
The IUPAC name of N-(tert-butylcarbamothioyl)benzamide (CID 909198) is N-(tert-butylcarbamothioyl)benzamide.
What is the SMILES notation for N-(tert-butylcarbamothioyl)benzamide?
The canonical SMILES for N-(tert-butylcarbamothioyl)benzamide is CC(C)(C)NC(=S)NC(=O)c1ccccc1.
What is the InChIKey of N-(tert-butylcarbamothioyl)benzamide?
The InChIKey is IAHAXKLLYOLNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-12(2,3)14-11(16)13-10(15)9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,13,14,15,16).
What are the key properties of N-(tert-butylcarbamothioyl)benzamide?
N-(tert-butylcarbamothioyl)benzamide has a molecular weight of 236.34 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamothioyl)benzamide is sourced from PubChem (CID 909198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).