(pentylamino)thiourea

C6H15N3S — CID 87060544

IUPAC(pentylamino)thiourea
SMILESCCCCCNNC(N)=S
InChIInChI=1S/C6H15N3S/c1-2-3-4-5-8-9-6(7)10/h8H,2-5H2,1H3,(H3,7,9,10)
InChIKeyMXHVPWRFWHWMGG-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.51
Rot. Bonds5

About (pentylamino)thiourea

(pentylamino)thiourea (PubChem CID 87060544) has the molecular formula C6H15N3S and a molecular weight of 161.27 g/mol. Its IUPAC name is (pentylamino)thiourea.

Molecular Properties

Compound Name(pentylamino)thiourea
PubChem CID87060544
Molecular FormulaC6H15N3S
Molecular Weight161.27 g/mol
Exact Mass161.10
IUPAC Name(pentylamino)thiourea
SMILESCCCCCNNC(N)=S
InChIInChI=1S/C6H15N3S/c1-2-3-4-5-8-9-6(7)10/h8H,2-5H2,1H3,(H3,7,9,10)
InChIKeyMXHVPWRFWHWMGG-UHFFFAOYSA-N
XLogP0.51
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (pentylamino)thiourea 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 (pentylamino)thiourea?
The IUPAC name of (pentylamino)thiourea (CID 87060544) is (pentylamino)thiourea.
What is the SMILES notation for (pentylamino)thiourea?
The canonical SMILES for (pentylamino)thiourea is CCCCCNNC(N)=S.
What is the InChIKey of (pentylamino)thiourea?
The InChIKey is MXHVPWRFWHWMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3S/c1-2-3-4-5-8-9-6(7)10/h8H,2-5H2,1H3,(H3,7,9,10).
What are the key properties of (pentylamino)thiourea?
(pentylamino)thiourea has a molecular weight of 161.27 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (pentylamino)thiourea is sourced from PubChem (CID 87060544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).