1-(ethylcarbamothioylamino)-3-phenylurea

C10H14N4OS — CID 2207529

IUPAC1-(ethylcarbamothioylamino)-3-phenylurea
SMILESCCNC(=S)NNC(=O)Nc1ccccc1
InChIInChI=1S/C10H14N4OS/c1-2-11-10(16)14-13-9(15)12-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,14,16)(H2,12,13,15)
InChIKeySNCCUQNYEBJGQJ-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.21
Rot. Bonds2

About 1-(ethylcarbamothioylamino)-3-phenylurea

1-(ethylcarbamothioylamino)-3-phenylurea (PubChem CID 2207529) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 1-(ethylcarbamothioylamino)-3-phenylurea.

Molecular Properties

Compound Name1-(ethylcarbamothioylamino)-3-phenylurea
PubChem CID2207529
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name1-(ethylcarbamothioylamino)-3-phenylurea
SMILESCCNC(=S)NNC(=O)Nc1ccccc1
InChIInChI=1S/C10H14N4OS/c1-2-11-10(16)14-13-9(15)12-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,14,16)(H2,12,13,15)
InChIKeySNCCUQNYEBJGQJ-UHFFFAOYSA-N
XLogP1.21
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(ethylcarbamothioylamino)-3-phenylurea?
The IUPAC name of 1-(ethylcarbamothioylamino)-3-phenylurea (CID 2207529) is 1-(ethylcarbamothioylamino)-3-phenylurea.
What is the SMILES notation for 1-(ethylcarbamothioylamino)-3-phenylurea?
The canonical SMILES for 1-(ethylcarbamothioylamino)-3-phenylurea is CCNC(=S)NNC(=O)Nc1ccccc1.
What is the InChIKey of 1-(ethylcarbamothioylamino)-3-phenylurea?
The InChIKey is SNCCUQNYEBJGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-2-11-10(16)14-13-9(15)12-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,14,16)(H2,12,13,15).
What are the key properties of 1-(ethylcarbamothioylamino)-3-phenylurea?
1-(ethylcarbamothioylamino)-3-phenylurea has a molecular weight of 238.32 g/mol, XLogP of 1.21, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylcarbamothioylamino)-3-phenylurea is sourced from PubChem (CID 2207529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).