ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate

C9H12N2O2S2 — CID 2824600

IUPACethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate
SMILESCCOC(=O)NC(=S)NCc1cccs1
InChIInChI=1S/C9H12N2O2S2/c1-2-13-9(12)11-8(14)10-6-7-4-3-5-15-7/h3-5H,2,6H2,1H3,(H2,10,11,12,14)
InChIKeyLIWKLEGRUCGPJA-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.87
Rot. Bonds3

About ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate

ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate (PubChem CID 2824600) has the molecular formula C9H12N2O2S2 and a molecular weight of 244.34 g/mol. Its IUPAC name is ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate.

Molecular Properties

Compound Nameethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate
PubChem CID2824600
Molecular FormulaC9H12N2O2S2
Molecular Weight244.34 g/mol
Exact Mass244.03
IUPAC Nameethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate
SMILESCCOC(=O)NC(=S)NCc1cccs1
InChIInChI=1S/C9H12N2O2S2/c1-2-13-9(12)11-8(14)10-6-7-4-3-5-15-7/h3-5H,2,6H2,1H3,(H2,10,11,12,14)
InChIKeyLIWKLEGRUCGPJA-UHFFFAOYSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate 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

ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
CID 38415489
N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 892758
ethyl N-[(4-bromophenyl)methylcarbamothioyl]carbamate
CID 71758606
2-chloro-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4925309
2-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)ethanethioamide
CID 146896544
3-bromo-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 54791822
4-propan-2-yloxy-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4952306
ethyl 2-(thiophen-2-ylmethylamino)heptanoate
CID 54895021
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
ethyl 2-(thiophen-2-ylmethylamino)nonanoate
CID 63523767
2-(2-methylpropoxy)-N-(thiophen-2-ylmethylcarbamothioyl)benzamide
CID 4946095
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464

Frequently Asked Questions

What is the IUPAC name of ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate?
The IUPAC name of ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate (CID 2824600) is ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate.
What is the SMILES notation for ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate?
The canonical SMILES for ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate is CCOC(=O)NC(=S)NCc1cccs1.
What is the InChIKey of ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate?
The InChIKey is LIWKLEGRUCGPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S2/c1-2-13-9(12)11-8(14)10-6-7-4-3-5-15-7/h3-5H,2,6H2,1H3,(H2,10,11,12,14).
What are the key properties of ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate?
ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate has a molecular weight of 244.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate is sourced from PubChem (CID 2824600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).