1-(carbamothioylamino)-3-cyclopentylurea

C7H14N4OS — CID 130618743

IUPAC1-(carbamothioylamino)-3-cyclopentylurea
SMILESNC(=S)NNC(=O)NC1CCCC1
InChIInChI=1S/C7H14N4OS/c8-6(13)10-11-7(12)9-5-3-1-2-4-5/h5H,1-4H2,(H3,8,10,13)(H2,9,11,12)
InChIKeyAUONVDJCWCDTCZ-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.02
Rot. Bonds1

About 1-(carbamothioylamino)-3-cyclopentylurea

1-(carbamothioylamino)-3-cyclopentylurea (PubChem CID 130618743) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-(carbamothioylamino)-3-cyclopentylurea.

Molecular Properties

Compound Name1-(carbamothioylamino)-3-cyclopentylurea
PubChem CID130618743
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name1-(carbamothioylamino)-3-cyclopentylurea
SMILESNC(=S)NNC(=O)NC1CCCC1
InChIInChI=1S/C7H14N4OS/c8-6(13)10-11-7(12)9-5-3-1-2-4-5/h5H,1-4H2,(H3,8,10,13)(H2,9,11,12)
InChIKeyAUONVDJCWCDTCZ-UHFFFAOYSA-N
XLogP-0.02
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.02
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'}

Analyze 1-(carbamothioylamino)-3-cyclopentylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(carbamothioylamino)-3-cyclopentylurea?
The IUPAC name of 1-(carbamothioylamino)-3-cyclopentylurea (CID 130618743) is 1-(carbamothioylamino)-3-cyclopentylurea.
What is the SMILES notation for 1-(carbamothioylamino)-3-cyclopentylurea?
The canonical SMILES for 1-(carbamothioylamino)-3-cyclopentylurea is NC(=S)NNC(=O)NC1CCCC1.
What is the InChIKey of 1-(carbamothioylamino)-3-cyclopentylurea?
The InChIKey is AUONVDJCWCDTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS/c8-6(13)10-11-7(12)9-5-3-1-2-4-5/h5H,1-4H2,(H3,8,10,13)(H2,9,11,12).
What are the key properties of 1-(carbamothioylamino)-3-cyclopentylurea?
1-(carbamothioylamino)-3-cyclopentylurea has a molecular weight of 202.28 g/mol, XLogP of -0.02, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamothioylamino)-3-cyclopentylurea is sourced from PubChem (CID 130618743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).