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

C7H18N4S — CID 21160214

IUPAC1-amino-1-[2-(diethylamino)ethyl]thiourea
SMILESCCN(CC)CCN(N)C(N)=S
InChIInChI=1S/C7H18N4S/c1-3-10(4-2)5-6-11(9)7(8)12/h3-6,9H2,1-2H3,(H2,8,12)
InChIKeySNNSRFPRZIQMET-UHFFFAOYSA-N
MW190.32 g/mol
LogP-0.25
Rot. Bonds5

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

1-amino-1-[2-(diethylamino)ethyl]thiourea (PubChem CID 21160214) has the molecular formula C7H18N4S and a molecular weight of 190.32 g/mol. Its IUPAC name is 1-amino-1-[2-(diethylamino)ethyl]thiourea.

Molecular Properties

Compound Name1-amino-1-[2-(diethylamino)ethyl]thiourea
PubChem CID21160214
Molecular FormulaC7H18N4S
Molecular Weight190.32 g/mol
Exact Mass190.13
IUPAC Name1-amino-1-[2-(diethylamino)ethyl]thiourea
SMILESCCN(CC)CCN(N)C(N)=S
InChIInChI=1S/C7H18N4S/c1-3-10(4-2)5-6-11(9)7(8)12/h3-6,9H2,1-2H3,(H2,8,12)
InChIKeySNNSRFPRZIQMET-UHFFFAOYSA-N
XLogP-0.25
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
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

N-(2-((Hydrazinocarbothioyl)(methyl)amino)ethyl)-N-methylhydrazinecarbothioamide
CID 3005302
1-[2-(Diethylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 15051277
4-[2-Diethylaminoethyl]thiosemicarbazide
CID 5368036
1-[2-[ethyl(methyl)amino]ethyl]-2H-tetrazole-5-thione
CID 20816741
1-(Diethylamino)-1-[2-(dimethylamino)ethyl]-3-(dimethylcarbamothioyl)thiourea
CID 56988931
trimethyl-[2-(3-methyl-5-sulfanylidene-2H-tetrazol-3-ium-1-yl)ethyl]azanium
CID 59950419
1-[2-(diethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione
CID 59950422
1-Amino-1-[3-(diethylamino)propyl]thiourea
CID 87317226
1-Amino-1-[3-(dimethylamino)propyl]thiourea
CID 88499732
1,3-Diamino-1-[2-(diethylamino)ethyl]thiourea
CID 89325213
3-Amino-1-[2-(dimethylamino)ethyl]-1-methylthiourea;ethane
CID 144731060
1-[2-(dimethylamino)ethyl]-2H-tetrazol-4-ium-5-thione
CID 151304553

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[2-(diethylamino)ethyl]thiourea?
The IUPAC name of 1-amino-1-[2-(diethylamino)ethyl]thiourea (CID 21160214) is 1-amino-1-[2-(diethylamino)ethyl]thiourea.
What is the SMILES notation for 1-amino-1-[2-(diethylamino)ethyl]thiourea?
The canonical SMILES for 1-amino-1-[2-(diethylamino)ethyl]thiourea is CCN(CC)CCN(N)C(N)=S.
What is the InChIKey of 1-amino-1-[2-(diethylamino)ethyl]thiourea?
The InChIKey is SNNSRFPRZIQMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4S/c1-3-10(4-2)5-6-11(9)7(8)12/h3-6,9H2,1-2H3,(H2,8,12).
What are the key properties of 1-amino-1-[2-(diethylamino)ethyl]thiourea?
1-amino-1-[2-(diethylamino)ethyl]thiourea has a molecular weight of 190.32 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[2-(diethylamino)ethyl]thiourea is sourced from PubChem (CID 21160214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).