(1-fluoropentylamino)thiourea

C6H14FN3S — CID 88665073

IUPAC(1-fluoropentylamino)thiourea
SMILESCCCCC(F)NNC(N)=S
InChIInChI=1S/C6H14FN3S/c1-2-3-4-5(7)9-10-6(8)11/h5,9H,2-4H2,1H3,(H3,8,10,11)
InChIKeyTXROYBHIKIFGNK-UHFFFAOYSA-N
MW179.26 g/mol
LogP0.81
Rot. Bonds5

About (1-fluoropentylamino)thiourea

(1-fluoropentylamino)thiourea (PubChem CID 88665073) has the molecular formula C6H14FN3S and a molecular weight of 179.26 g/mol. Its IUPAC name is (1-fluoropentylamino)thiourea.

Molecular Properties

Compound Name(1-fluoropentylamino)thiourea
PubChem CID88665073
Molecular FormulaC6H14FN3S
Molecular Weight179.26 g/mol
Exact Mass179.09
IUPAC Name(1-fluoropentylamino)thiourea
SMILESCCCCC(F)NNC(N)=S
InChIInChI=1S/C6H14FN3S/c1-2-3-4-5(7)9-10-6(8)11/h5,9H,2-4H2,1H3,(H3,8,10,11)
InChIKeyTXROYBHIKIFGNK-UHFFFAOYSA-N
XLogP0.81
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-fluoropentylamino)thiourea with MolForge

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

Launch Full Analysis

Related Compounds

Hydrazinecarbothioamide, 2-propyl-
CID 3374478
Butylthiosemicarbazide
CID 23054747
(5-Fluoropentylamino)thiourea
CID 88665074
[Fluoro(pentyl)amino]thiourea
CID 88665076
Triazanonanedithioamide
CID 129772885
6-Butyl-1,2,4,5-tetrazinane-3-thione
CID 139233728
(Heptylamino)thiourea
CID 20461048
(Hexylamino)thiourea
CID 20555832
(Pentylamino)thiourea
CID 87060544
1-Amino-3-(pentylamino)thiourea
CID 88160502
(Pentan-2-ylamino)thiourea
CID 174836958
Aminothiourea;pentylhydrazine
CID 174921188

Frequently Asked Questions

What is the IUPAC name of (1-fluoropentylamino)thiourea?
The IUPAC name of (1-fluoropentylamino)thiourea (CID 88665073) is (1-fluoropentylamino)thiourea.
What is the SMILES notation for (1-fluoropentylamino)thiourea?
The canonical SMILES for (1-fluoropentylamino)thiourea is CCCCC(F)NNC(N)=S.
What is the InChIKey of (1-fluoropentylamino)thiourea?
The InChIKey is TXROYBHIKIFGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FN3S/c1-2-3-4-5(7)9-10-6(8)11/h5,9H,2-4H2,1H3,(H3,8,10,11).
What are the key properties of (1-fluoropentylamino)thiourea?
(1-fluoropentylamino)thiourea has a molecular weight of 179.26 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoropentylamino)thiourea is sourced from PubChem (CID 88665073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).