1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea

C10H12FIN2OS — CID 10269522

IUPAC1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea
SMILESOCCNC(=S)NCc1cccc(I)c1F
InChIInChI=1S/C10H12FIN2OS/c11-9-7(2-1-3-8(9)12)6-14-10(16)13-4-5-15/h1-3,15H,4-6H2,(H2,13,14,16)
InChIKeyUEUWSHGGUBJMAE-UHFFFAOYSA-N
MW354.19 g/mol
LogP1.39
Rot. Bonds4

About 1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea

1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea (PubChem CID 10269522) has the molecular formula C10H12FIN2OS and a molecular weight of 354.19 g/mol. Its IUPAC name is 1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea.

Molecular Properties

Compound Name1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea
PubChem CID10269522
Molecular FormulaC10H12FIN2OS
Molecular Weight354.19 g/mol
Exact Mass353.97
IUPAC Name1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea
SMILESOCCNC(=S)NCc1cccc(I)c1F
InChIInChI=1S/C10H12FIN2OS/c11-9-7(2-1-3-8(9)12)6-14-10(16)13-4-5-15/h1-3,15H,4-6H2,(H2,13,14,16)
InChIKeyUEUWSHGGUBJMAE-UHFFFAOYSA-N
XLogP1.39
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-(2-hydroxyethyl)thiourea
CID 2731003
N-(2-hydroxyethyl)benzenecarbothioamide
CID 2731056
2-{[(4-Fluorophenyl)methyl]amino}ethan-1-ol
CID 3614545
1-(2-Hydroxyethyl)-3-(2-phenylethyl)thiourea
CID 2166227
1-Ethyl-3-(4-fluorobenzyl)thiourea
CID 805513
2-((2-Fluorobenzyl)Amino)Ethanol
CID 4719266
N-{[(2-hydroxyethyl)amino]carbonyl}benzenecarbothioamide
CID 2214048
1-Benzyl-3-cyclohexyl-1-(2-hydroxyethyl)thiourea
CID 2455813
1-[(3-Chloro-2-fluorophenyl)methyl]-3-(2-hydroxyethyl)thiourea
CID 9903363
{1-[(4-fluorophenyl)methyl]-2-sulfanyl-1H-imidazol-5-yl}methanol
CID 42281632
2-{[(3,4-Difluorophenyl)methyl]amino}ethan-1-ol
CID 10236055
1-(2-Hydroxyethyl)-3-[(4-methylphenyl)methyl]thiourea
CID 2737944

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea?
The IUPAC name of 1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea (CID 10269522) is 1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea.
What is the SMILES notation for 1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea?
The canonical SMILES for 1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea is OCCNC(=S)NCc1cccc(I)c1F.
What is the InChIKey of 1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea?
The InChIKey is UEUWSHGGUBJMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FIN2OS/c11-9-7(2-1-3-8(9)12)6-14-10(16)13-4-5-15/h1-3,15H,4-6H2,(H2,13,14,16).
What are the key properties of 1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea?
1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea has a molecular weight of 354.19 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-iodophenyl)methyl]-3-(2-hydroxyethyl)thiourea is sourced from PubChem (CID 10269522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).