1-(diethylamino)ethylthiourea

C7H17N3S — CID 88808205

IUPAC1-(diethylamino)ethylthiourea
SMILESCCN(CC)C(C)NC(N)=S
InChIInChI=1S/C7H17N3S/c1-4-10(5-2)6(3)9-7(8)11/h6H,4-5H2,1-3H3,(H3,8,9,11)
InChIKeyMADCQBOQBJMVKN-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.51
Rot. Bonds4

About 1-(diethylamino)ethylthiourea

1-(diethylamino)ethylthiourea (PubChem CID 88808205) has the molecular formula C7H17N3S and a molecular weight of 175.30 g/mol. Its IUPAC name is 1-(diethylamino)ethylthiourea.

Molecular Properties

Compound Name1-(diethylamino)ethylthiourea
PubChem CID88808205
Molecular FormulaC7H17N3S
Molecular Weight175.30 g/mol
Exact Mass175.11
IUPAC Name1-(diethylamino)ethylthiourea
SMILESCCN(CC)C(C)NC(N)=S
InChIInChI=1S/C7H17N3S/c1-4-10(5-2)6(3)9-7(8)11/h6H,4-5H2,1-3H3,(H3,8,9,11)
InChIKeyMADCQBOQBJMVKN-UHFFFAOYSA-N
XLogP0.51
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)ethylthiourea?
The IUPAC name of 1-(diethylamino)ethylthiourea (CID 88808205) is 1-(diethylamino)ethylthiourea.
What is the SMILES notation for 1-(diethylamino)ethylthiourea?
The canonical SMILES for 1-(diethylamino)ethylthiourea is CCN(CC)C(C)NC(N)=S.
What is the InChIKey of 1-(diethylamino)ethylthiourea?
The InChIKey is MADCQBOQBJMVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3S/c1-4-10(5-2)6(3)9-7(8)11/h6H,4-5H2,1-3H3,(H3,8,9,11).
What are the key properties of 1-(diethylamino)ethylthiourea?
1-(diethylamino)ethylthiourea has a molecular weight of 175.30 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)ethylthiourea is sourced from PubChem (CID 88808205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).