1-amino-3-[2-(diethylamino)ethyl]thiourea

C7H18N4S — CID 5368036

IUPAC1-amino-3-[2-(diethylamino)ethyl]thiourea
SMILESCCN(CC)CCNC(=S)NN
InChIInChI=1S/C7H18N4S/c1-3-11(4-2)6-5-9-7(12)10-8/h3-6,8H2,1-2H3,(H2,9,10,12)
InChIKeyAQBIFEQQPGVQTN-UHFFFAOYSA-N
MW190.32 g/mol
LogP-0.33
Rot. Bonds5

About 1-amino-3-[2-(diethylamino)ethyl]thiourea

1-amino-3-[2-(diethylamino)ethyl]thiourea (PubChem CID 5368036) has the molecular formula C7H18N4S and a molecular weight of 190.32 g/mol. Its IUPAC name is 1-amino-3-[2-(diethylamino)ethyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[2-(diethylamino)ethyl]thiourea
PubChem CID5368036
Molecular FormulaC7H18N4S
Molecular Weight190.32 g/mol
Exact Mass190.13
IUPAC Name1-amino-3-[2-(diethylamino)ethyl]thiourea
SMILESCCN(CC)CCNC(=S)NN
InChIInChI=1S/C7H18N4S/c1-3-11(4-2)6-5-9-7(12)10-8/h3-6,8H2,1-2H3,(H2,9,10,12)
InChIKeyAQBIFEQQPGVQTN-UHFFFAOYSA-N
XLogP-0.33
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.32
LogP ≤ 5-0.33
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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Related Compounds

1-Amino-3-[2-(aminocarbamothioylamino)ethyl]thiourea
CID 3005301
1-Ethyl-3-(ethylcarbamothioylamino)thiourea
CID 3500055
1-Amino-3-(ethylcarbamothioylamino)thiourea
CID 130721573
N-(2-((Hydrazinocarbothioyl)(methyl)amino)ethyl)-N-methylhydrazinecarbothioamide
CID 3005302
1-Ethyl-3-(4-methylpiperazin-1-yl)thiourea
CID 886375
4-[2-Dimethylaminopropyl]thiosemicarbazide
CID 5366287
3-Amino-1-[3-(dimethylamino)propyl]thiourea
CID 10012455
1-Amino-3-(2-piperazin-1-ylethyl)thiourea
CID 10104341
1-Amino-3-[3-(diethylamino)propyl]thiourea
CID 10330564
Hydrazinecarbothioamide, N-[2-(dimethylamino)ethyl]-
CID 10352005
1-Ethyl-3-(methylamino)thiourea
CID 15685569
1-Amino-3-[2-(dipropylamino)ethyl]thiourea
CID 18341778

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(diethylamino)ethyl]thiourea?
The IUPAC name of 1-amino-3-[2-(diethylamino)ethyl]thiourea (CID 5368036) is 1-amino-3-[2-(diethylamino)ethyl]thiourea.
What is the SMILES notation for 1-amino-3-[2-(diethylamino)ethyl]thiourea?
The canonical SMILES for 1-amino-3-[2-(diethylamino)ethyl]thiourea is CCN(CC)CCNC(=S)NN.
What is the InChIKey of 1-amino-3-[2-(diethylamino)ethyl]thiourea?
The InChIKey is AQBIFEQQPGVQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4S/c1-3-11(4-2)6-5-9-7(12)10-8/h3-6,8H2,1-2H3,(H2,9,10,12).
What are the key properties of 1-amino-3-[2-(diethylamino)ethyl]thiourea?
1-amino-3-[2-(diethylamino)ethyl]thiourea has a molecular weight of 190.32 g/mol, XLogP of -0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(diethylamino)ethyl]thiourea is sourced from PubChem (CID 5368036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).