3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide

C7H15N3O2S — CID 4638963

IUPAC3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide
SMILESCNC(=S)N(CCO)CCC(N)=O
InChIInChI=1S/C7H15N3O2S/c1-9-7(13)10(4-5-11)3-2-6(8)12/h11H,2-5H2,1H3,(H2,8,12)(H,9,13)
InChIKeyTYZDPPWSNHRVSD-UHFFFAOYSA-N
MW205.28 g/mol
LogP-1.34
Rot. Bonds5

About 3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide

3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide (PubChem CID 4638963) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide
PubChem CID4638963
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide
SMILESCNC(=S)N(CCO)CCC(N)=O
InChIInChI=1S/C7H15N3O2S/c1-9-7(13)10(4-5-11)3-2-6(8)12/h11H,2-5H2,1H3,(H2,8,12)(H,9,13)
InChIKeyTYZDPPWSNHRVSD-UHFFFAOYSA-N
XLogP-1.34
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide?
The IUPAC name of 3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide (CID 4638963) is 3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide.
What is the SMILES notation for 3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide?
The canonical SMILES for 3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide is CNC(=S)N(CCO)CCC(N)=O.
What is the InChIKey of 3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide?
The InChIKey is TYZDPPWSNHRVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-9-7(13)10(4-5-11)3-2-6(8)12/h11H,2-5H2,1H3,(H2,8,12)(H,9,13).
What are the key properties of 3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide?
3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide has a molecular weight of 205.28 g/mol, XLogP of -1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(methylcarbamothioyl)amino]propanamide is sourced from PubChem (CID 4638963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).