1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea

C8H15N5S2 — CID 173159870

IUPAC1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea
SMILESC=CC(N)NC(=S)NC(=S)NC(N)C=C
InChIInChI=1S/C8H15N5S2/c1-3-5(9)11-7(14)13-8(15)12-6(10)4-2/h3-6H,1-2,9-10H2,(H3,11,12,13,14,15)
InChIKeyZOWICLNUOJKXCC-UHFFFAOYSA-N
MW245.38 g/mol
LogP-0.73
Rot. Bonds4

About 1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea

1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea (PubChem CID 173159870) has the molecular formula C8H15N5S2 and a molecular weight of 245.38 g/mol. Its IUPAC name is 1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea.

Molecular Properties

Compound Name1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea
PubChem CID173159870
Molecular FormulaC8H15N5S2
Molecular Weight245.38 g/mol
Exact Mass245.08
IUPAC Name1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea
SMILESC=CC(N)NC(=S)NC(=S)NC(N)C=C
InChIInChI=1S/C8H15N5S2/c1-3-5(9)11-7(14)13-8(15)12-6(10)4-2/h3-6H,1-2,9-10H2,(H3,11,12,13,14,15)
InChIKeyZOWICLNUOJKXCC-UHFFFAOYSA-N
XLogP-0.73
TPSA88.13 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 5-0.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea?
The IUPAC name of 1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea (CID 173159870) is 1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea.
What is the SMILES notation for 1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea?
The canonical SMILES for 1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea is C=CC(N)NC(=S)NC(=S)NC(N)C=C.
What is the InChIKey of 1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea?
The InChIKey is ZOWICLNUOJKXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S2/c1-3-5(9)11-7(14)13-8(15)12-6(10)4-2/h3-6H,1-2,9-10H2,(H3,11,12,13,14,15).
What are the key properties of 1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea?
1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea has a molecular weight of 245.38 g/mol, XLogP of -0.73, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoprop-2-enyl)-3-(1-aminoprop-2-enylcarbamothioyl)thiourea is sourced from PubChem (CID 173159870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).