N-(2-methoxyethylcarbamothioylamino)formamide

C5H11N3O2S — CID 17370911

IUPACN-(2-methoxyethylcarbamothioylamino)formamide
SMILESCOCCNC(=S)NNC=O
InChIInChI=1S/C5H11N3O2S/c1-10-3-2-6-5(11)8-7-4-9/h4H,2-3H2,1H3,(H,7,9)(H2,6,8,11)
InChIKeyBYSRRWFMUHVCGF-UHFFFAOYSA-N
MW177.23 g/mol
LogP-1.24
Rot. Bonds5

About N-(2-methoxyethylcarbamothioylamino)formamide

N-(2-methoxyethylcarbamothioylamino)formamide (PubChem CID 17370911) has the molecular formula C5H11N3O2S and a molecular weight of 177.23 g/mol. Its IUPAC name is N-(2-methoxyethylcarbamothioylamino)formamide.

Molecular Properties

Compound NameN-(2-methoxyethylcarbamothioylamino)formamide
PubChem CID17370911
Molecular FormulaC5H11N3O2S
Molecular Weight177.23 g/mol
Exact Mass177.06
IUPAC NameN-(2-methoxyethylcarbamothioylamino)formamide
SMILESCOCCNC(=S)NNC=O
InChIInChI=1S/C5H11N3O2S/c1-10-3-2-6-5(11)8-7-4-9/h4H,2-3H2,1H3,(H,7,9)(H2,6,8,11)
InChIKeyBYSRRWFMUHVCGF-UHFFFAOYSA-N
XLogP-1.24
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylcarbamothioylamino)formamide?
The IUPAC name of N-(2-methoxyethylcarbamothioylamino)formamide (CID 17370911) is N-(2-methoxyethylcarbamothioylamino)formamide.
What is the SMILES notation for N-(2-methoxyethylcarbamothioylamino)formamide?
The canonical SMILES for N-(2-methoxyethylcarbamothioylamino)formamide is COCCNC(=S)NNC=O.
What is the InChIKey of N-(2-methoxyethylcarbamothioylamino)formamide?
The InChIKey is BYSRRWFMUHVCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2S/c1-10-3-2-6-5(11)8-7-4-9/h4H,2-3H2,1H3,(H,7,9)(H2,6,8,11).
What are the key properties of N-(2-methoxyethylcarbamothioylamino)formamide?
N-(2-methoxyethylcarbamothioylamino)formamide has a molecular weight of 177.23 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylcarbamothioylamino)formamide is sourced from PubChem (CID 17370911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).