2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide

C11H16N2OS3 — CID 146896544

IUPAC2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide
SMILESCC(C)OCC(=S)NC(=S)NCc1cccs1
InChIInChI=1S/C11H16N2OS3/c1-8(2)14-7-10(15)13-11(16)12-6-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3,(H2,12,13,15,16)
InChIKeyUCKXJQIPWBRGNA-UHFFFAOYSA-N
MW288.46 g/mol
LogP2.46
Rot. Bonds5

About 2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide

2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide (PubChem CID 146896544) has the molecular formula C11H16N2OS3 and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide
PubChem CID146896544
Molecular FormulaC11H16N2OS3
Molecular Weight288.46 g/mol
Exact Mass288.04
IUPAC Name2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide
SMILESCC(C)OCC(=S)NC(=S)NCc1cccs1
InChIInChI=1S/C11H16N2OS3/c1-8(2)14-7-10(15)13-11(16)12-6-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3,(H2,12,13,15,16)
InChIKeyUCKXJQIPWBRGNA-UHFFFAOYSA-N
XLogP2.46
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide with MolForge

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

Launch Full Analysis

Related Compounds

4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4952306
ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate
CID 2824600
2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4946095
N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 892758
1-[(1R)-1-(4-phenylphenyl)ethyl]-3-(thiophen-2-ylmethyl)thiourea
CID 9111467
1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea
CID 2730103
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4925309
1-(2-propan-2-yloxyethoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633221
1-(4-tert-butylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2105931
3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide
CID 174883197
3-bromo-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 54791822

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide?
The IUPAC name of 2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide (CID 146896544) is 2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide.
What is the SMILES notation for 2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide?
The canonical SMILES for 2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide is CC(C)OCC(=S)NC(=S)NCc1cccs1.
What is the InChIKey of 2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide?
The InChIKey is UCKXJQIPWBRGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS3/c1-8(2)14-7-10(15)13-11(16)12-6-9-4-3-5-17-9/h3-5,8H,6-7H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide?
2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide has a molecular weight of 288.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide is sourced from PubChem (CID 146896544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).