1-amino-3-[1-(dimethylamino)ethyl]thiourea

C5H14N4S — CID 23471364

IUPAC1-amino-3-[1-(dimethylamino)ethyl]thiourea
SMILESCC(NC(=S)NN)N(C)C
InChIInChI=1S/C5H14N4S/c1-4(9(2)3)7-5(10)8-6/h4H,6H2,1-3H3,(H2,7,8,10)
InChIKeyGFHDLQALDADDLX-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.77
Rot. Bonds2

About 1-amino-3-[1-(dimethylamino)ethyl]thiourea

1-amino-3-[1-(dimethylamino)ethyl]thiourea (PubChem CID 23471364) has the molecular formula C5H14N4S and a molecular weight of 162.26 g/mol. Its IUPAC name is 1-amino-3-[1-(dimethylamino)ethyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[1-(dimethylamino)ethyl]thiourea
PubChem CID23471364
Molecular FormulaC5H14N4S
Molecular Weight162.26 g/mol
Exact Mass162.09
IUPAC Name1-amino-3-[1-(dimethylamino)ethyl]thiourea
SMILESCC(NC(=S)NN)N(C)C
InChIInChI=1S/C5H14N4S/c1-4(9(2)3)7-5(10)8-6/h4H,6H2,1-3H3,(H2,7,8,10)
InChIKeyGFHDLQALDADDLX-UHFFFAOYSA-N
XLogP-0.77
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 1-amino-3-[1-(dimethylamino)ethyl]thiourea?
The IUPAC name of 1-amino-3-[1-(dimethylamino)ethyl]thiourea (CID 23471364) is 1-amino-3-[1-(dimethylamino)ethyl]thiourea.
What is the SMILES notation for 1-amino-3-[1-(dimethylamino)ethyl]thiourea?
The canonical SMILES for 1-amino-3-[1-(dimethylamino)ethyl]thiourea is CC(NC(=S)NN)N(C)C.
What is the InChIKey of 1-amino-3-[1-(dimethylamino)ethyl]thiourea?
The InChIKey is GFHDLQALDADDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4S/c1-4(9(2)3)7-5(10)8-6/h4H,6H2,1-3H3,(H2,7,8,10).
What are the key properties of 1-amino-3-[1-(dimethylamino)ethyl]thiourea?
1-amino-3-[1-(dimethylamino)ethyl]thiourea has a molecular weight of 162.26 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[1-(dimethylamino)ethyl]thiourea is sourced from PubChem (CID 23471364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).