1-amino-3-(2-fluoroethyl)thiourea

C3H8FN3S — CID 130504363

IUPAC1-amino-3-(2-fluoroethyl)thiourea
SMILESNNC(=S)NCCF
InChIInChI=1S/C3H8FN3S/c4-1-2-6-3(8)7-5/h1-2,5H2,(H2,6,7,8)
InChIKeyDGJIAYWIAAPIIU-UHFFFAOYSA-N
MW137.18 g/mol
LogP-0.71
Rot. Bonds2

About 1-amino-3-(2-fluoroethyl)thiourea

1-amino-3-(2-fluoroethyl)thiourea (PubChem CID 130504363) has the molecular formula C3H8FN3S and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-amino-3-(2-fluoroethyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2-fluoroethyl)thiourea
PubChem CID130504363
Molecular FormulaC3H8FN3S
Molecular Weight137.18 g/mol
Exact Mass137.04
IUPAC Name1-amino-3-(2-fluoroethyl)thiourea
SMILESNNC(=S)NCCF
InChIInChI=1S/C3H8FN3S/c4-1-2-6-3(8)7-5/h1-2,5H2,(H2,6,7,8)
InChIKeyDGJIAYWIAAPIIU-UHFFFAOYSA-N
XLogP-0.71
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-amino-3-(2-fluoroethyl)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

4-Ethyl-3-thiosemicarbazide
CID 1551780
n-Propylhydrazinecarbothioamide
CID 1810736
1-Amino-3-(2,2,2-trifluoroethyl)thiourea
CID 33788311
1-Ethyl-3-(ethylcarbamothioylamino)thiourea
CID 3500055
1-Amino-3-(ethylcarbamothioylamino)thiourea
CID 130721573
1-Amino-3-(2,2-difluoroethyl)thiourea
CID 115407686
N-Ethyl-2,2-dimethylhydrazine-1-carbothioamide
CID 4253634
3-Amino-ethylisothiourea hydrobromide
CID 129722521
1-Amino-3-(3,3,3-trifluoropropyl)thiourea
CID 63227135
1-Amino-3-(4,4,4-trifluorobutyl)thiourea
CID 115520715
1-Amino-3-(4-fluorobutyl)thiourea
CID 130592976
4-Ethyl thiosemicarbazide hydrochloride
CID 12618719

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-fluoroethyl)thiourea?
The IUPAC name of 1-amino-3-(2-fluoroethyl)thiourea (CID 130504363) is 1-amino-3-(2-fluoroethyl)thiourea.
What is the SMILES notation for 1-amino-3-(2-fluoroethyl)thiourea?
The canonical SMILES for 1-amino-3-(2-fluoroethyl)thiourea is NNC(=S)NCCF.
What is the InChIKey of 1-amino-3-(2-fluoroethyl)thiourea?
The InChIKey is DGJIAYWIAAPIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FN3S/c4-1-2-6-3(8)7-5/h1-2,5H2,(H2,6,7,8).
What are the key properties of 1-amino-3-(2-fluoroethyl)thiourea?
1-amino-3-(2-fluoroethyl)thiourea has a molecular weight of 137.18 g/mol, XLogP of -0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-fluoroethyl)thiourea is sourced from PubChem (CID 130504363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).