[(2-hydroxyacetyl)amino]thiourea

C3H7N3O2S — CID 54279213

IUPAC[(2-hydroxyacetyl)amino]thiourea
SMILESNC(=S)NNC(=O)CO
InChIInChI=1S/C3H7N3O2S/c4-3(9)6-5-2(8)1-7/h7H,1H2,(H,5,8)(H3,4,6,9)
InChIKeyRPPKSANVFDTRCM-UHFFFAOYSA-N
MW149.18 g/mol
LogP-2.16
Rot. Bonds1

About [(2-hydroxyacetyl)amino]thiourea

[(2-hydroxyacetyl)amino]thiourea (PubChem CID 54279213) has the molecular formula C3H7N3O2S and a molecular weight of 149.18 g/mol. Its IUPAC name is [(2-hydroxyacetyl)amino]thiourea.

Molecular Properties

Compound Name[(2-hydroxyacetyl)amino]thiourea
PubChem CID54279213
Molecular FormulaC3H7N3O2S
Molecular Weight149.18 g/mol
Exact Mass149.03
IUPAC Name[(2-hydroxyacetyl)amino]thiourea
SMILESNC(=S)NNC(=O)CO
InChIInChI=1S/C3H7N3O2S/c4-3(9)6-5-2(8)1-7/h7H,1H2,(H,5,8)(H3,4,6,9)
InChIKeyRPPKSANVFDTRCM-UHFFFAOYSA-N
XLogP-2.16
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [(2-hydroxyacetyl)amino]thiourea?
The IUPAC name of [(2-hydroxyacetyl)amino]thiourea (CID 54279213) is [(2-hydroxyacetyl)amino]thiourea.
What is the SMILES notation for [(2-hydroxyacetyl)amino]thiourea?
The canonical SMILES for [(2-hydroxyacetyl)amino]thiourea is NC(=S)NNC(=O)CO.
What is the InChIKey of [(2-hydroxyacetyl)amino]thiourea?
The InChIKey is RPPKSANVFDTRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2S/c4-3(9)6-5-2(8)1-7/h7H,1H2,(H,5,8)(H3,4,6,9).
What are the key properties of [(2-hydroxyacetyl)amino]thiourea?
[(2-hydroxyacetyl)amino]thiourea has a molecular weight of 149.18 g/mol, XLogP of -2.16, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hydroxyacetyl)amino]thiourea is sourced from PubChem (CID 54279213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).