1-amino-3-[2-(dimethylamino)propyl]thiourea

C6H16N4S — CID 5366287

IUPAC1-amino-3-[2-(dimethylamino)propyl]thiourea
SMILESCC(CNC(=S)NN)N(C)C
InChIInChI=1S/C6H16N4S/c1-5(10(2)3)4-8-6(11)9-7/h5H,4,7H2,1-3H3,(H2,8,9,11)
InChIKeyCDBNUIHQMJWJLD-UHFFFAOYSA-N
MW176.29 g/mol
LogP-0.73
Rot. Bonds3

About 1-amino-3-[2-(dimethylamino)propyl]thiourea

1-amino-3-[2-(dimethylamino)propyl]thiourea (PubChem CID 5366287) has the molecular formula C6H16N4S and a molecular weight of 176.29 g/mol. Its IUPAC name is 1-amino-3-[2-(dimethylamino)propyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[2-(dimethylamino)propyl]thiourea
PubChem CID5366287
Molecular FormulaC6H16N4S
Molecular Weight176.29 g/mol
Exact Mass176.11
IUPAC Name1-amino-3-[2-(dimethylamino)propyl]thiourea
SMILESCC(CNC(=S)NN)N(C)C
InChIInChI=1S/C6H16N4S/c1-5(10(2)3)4-8-6(11)9-7/h5H,4,7H2,1-3H3,(H2,8,9,11)
InChIKeyCDBNUIHQMJWJLD-UHFFFAOYSA-N
XLogP-0.73
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.29
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[2-(dimethylamino)propyl]thiourea?
The IUPAC name of 1-amino-3-[2-(dimethylamino)propyl]thiourea (CID 5366287) is 1-amino-3-[2-(dimethylamino)propyl]thiourea.
What is the SMILES notation for 1-amino-3-[2-(dimethylamino)propyl]thiourea?
The canonical SMILES for 1-amino-3-[2-(dimethylamino)propyl]thiourea is CC(CNC(=S)NN)N(C)C.
What is the InChIKey of 1-amino-3-[2-(dimethylamino)propyl]thiourea?
The InChIKey is CDBNUIHQMJWJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4S/c1-5(10(2)3)4-8-6(11)9-7/h5H,4,7H2,1-3H3,(H2,8,9,11).
What are the key properties of 1-amino-3-[2-(dimethylamino)propyl]thiourea?
1-amino-3-[2-(dimethylamino)propyl]thiourea has a molecular weight of 176.29 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(dimethylamino)propyl]thiourea is sourced from PubChem (CID 5366287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).