1-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea

C10H16N6O2S2 — CID 7942871

IUPAC1-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea
SMILESO=C(NNC(=S)NC1CC1)C(=O)NNC(=S)NC1CC1
InChIInChI=1S/C10H16N6O2S2/c17-7(13-15-9(19)11-5-1-2-5)8(18)14-16-10(20)12-6-3-4-6/h5-6H,1-4H2,(H,13,17)(H,14,18)(H2,11,15,19)(H2,12,16,20)
InChIKeyVUXDZJDVYVHLOR-UHFFFAOYSA-N
MW316.41 g/mol
LogP-1.70
Rot. Bonds2

About 1-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea

1-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea (PubChem CID 7942871) has the molecular formula C10H16N6O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea
PubChem CID7942871
Molecular FormulaC10H16N6O2S2
Molecular Weight316.41 g/mol
Exact Mass316.08
IUPAC Name1-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea
SMILESO=C(NNC(=S)NC1CC1)C(=O)NNC(=S)NC1CC1
InChIInChI=1S/C10H16N6O2S2/c17-7(13-15-9(19)11-5-1-2-5)8(18)14-16-10(20)12-6-3-4-6/h5-6H,1-4H2,(H,13,17)(H,14,18)(H2,11,15,19)(H2,12,16,20)
InChIKeyVUXDZJDVYVHLOR-UHFFFAOYSA-N
XLogP-1.70
TPSA106.32 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.41
LogP ≤ 5-1.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea?
The IUPAC name of 1-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea (CID 7942871) is 1-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea is O=C(NNC(=S)NC1CC1)C(=O)NNC(=S)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea?
The InChIKey is VUXDZJDVYVHLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S2/c17-7(13-15-9(19)11-5-1-2-5)8(18)14-16-10(20)12-6-3-4-6/h5-6H,1-4H2,(H,13,17)(H,14,18)(H2,11,15,19)(H2,12,16,20).
What are the key properties of 1-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea?
1-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea has a molecular weight of 316.41 g/mol, XLogP of -1.70, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[2-[2-(cyclopropylcarbamothioyl)hydrazinyl]-2-oxoacetyl]amino]thiourea is sourced from PubChem (CID 7942871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).