1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea

C8H18N4OS2 — CID 5377232

IUPAC1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea
SMILESCNC(=S)NCCN(CCO)C(=S)NC
InChIInChI=1S/C8H18N4OS2/c1-9-7(14)11-3-4-12(5-6-13)8(15)10-2/h13H,3-6H2,1-2H3,(H,10,15)(H2,9,11,14)
InChIKeyOSWQGTMRTZMYDB-UHFFFAOYSA-N
MW250.39 g/mol
LogP-1.12
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea

1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea (PubChem CID 5377232) has the molecular formula C8H18N4OS2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea
PubChem CID5377232
Molecular FormulaC8H18N4OS2
Molecular Weight250.39 g/mol
Exact Mass250.09
IUPAC Name1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea
SMILESCNC(=S)NCCN(CCO)C(=S)NC
InChIInChI=1S/C8H18N4OS2/c1-9-7(14)11-3-4-12(5-6-13)8(15)10-2/h13H,3-6H2,1-2H3,(H,10,15)(H2,9,11,14)
InChIKeyOSWQGTMRTZMYDB-UHFFFAOYSA-N
XLogP-1.12
TPSA59.56 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 5-1.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea 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

1-[1-(Hydroxymethyl)propyl]-1-[2-[1-(hydroxymethyl)propyl-(methylcarbamothioyl)amino]ethyl]-3-methyl-thiourea
CID 3001756
1,3-Bis[2-(2-hydroxyethylamino)ethyl]thiourea
CID 3780282
3-[Bis(2-hydroxyethyl)carbamothioyl]-1,1-dimethylthiourea
CID 134890913
Piperazine, 1-[2-hydroxyethyl]-4-[N-methylthiocarbamyl]-
CID 5369236
zinc;N,N-dimethylcarbamodithioate;2-hydroxyethyl(trimethyl)azanium;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
CID 20364117
N-(2-hydroxyethyl)carbamodithioate;triethylazanium
CID 22766663
2-[2,2,2-Tris(ethylamino)ethylamino]ethanol
CID 87217956
2-[1,2-Diaminoethyl-[2,2,2-tris(methylamino)ethyl]amino]ethanol
CID 90902396
2-Amino-1-[2-[(dimethylamino)methylamino]ethyl-methylamino]ethanol
CID 123776115
1,1,3-Tris(2-hydroxyethyl)thiourea
CID 127069113
1-(2-Hydroxyethyl)imidazolidine-2-thione;imidazolidine-2-thione
CID 160823088
1-(2-Hydroxyethyl)-1,3-dipropylthiourea
CID 168229588

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea?
The IUPAC name of 1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea (CID 5377232) is 1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea is CNC(=S)NCCN(CCO)C(=S)NC.
What is the InChIKey of 1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea?
The InChIKey is OSWQGTMRTZMYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4OS2/c1-9-7(14)11-3-4-12(5-6-13)8(15)10-2/h13H,3-6H2,1-2H3,(H,10,15)(H2,9,11,14).
What are the key properties of 1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea?
1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea has a molecular weight of 250.39 g/mol, XLogP of -1.12, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-methyl-1-[2-(methylcarbamothioylamino)ethyl]thiourea is sourced from PubChem (CID 5377232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).