1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea

C10H12FN3S — CID 9071843

IUPAC1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea
SMILESCNC(=S)N/N=C(/C)c1ccccc1F
InChIInChI=1S/C10H12FN3S/c1-7(13-14-10(15)12-2)8-5-3-4-6-9(8)11/h3-6H,1-2H3,(H2,12,14,15)/b13-7-
InChIKeyNKFHDJKCORTZEY-QPEQYQDCSA-N
MW225.29 g/mol
LogP1.64
Rot. Bonds2

About 1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea

1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea (PubChem CID 9071843) has the molecular formula C10H12FN3S and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea.

Molecular Properties

Compound Name1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea
PubChem CID9071843
Molecular FormulaC10H12FN3S
Molecular Weight225.29 g/mol
Exact Mass225.07
IUPAC Name1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea
SMILESCNC(=S)N/N=C(/C)c1ccccc1F
InChIInChI=1S/C10H12FN3S/c1-7(13-14-10(15)12-2)8-5-3-4-6-9(8)11/h3-6H,1-2H3,(H2,12,14,15)/b13-7-
InChIKeyNKFHDJKCORTZEY-QPEQYQDCSA-N
XLogP1.64
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-methoxyphenyl)ethylideneamino]-3-methylthiourea
CID 4317161
2-fluoro-N-methylbenzenecarbothioamide
CID 83390122
1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 9410454
1-methyl-3-[(E)-1-[3-[(E)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]ethylideneamino]thiourea
CID 139163904
1-methyl-3-(1-pyridin-2-ylethylideneamino)thiourea
CID 3005983
1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-methylthiourea
CID 135676243
N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide
CID 6144982
4-chloro-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]aniline
CID 7937205
1-[[(2-hydroxyphenyl)-phenylmethylidene]amino]-3-methylthiourea
CID 167530471
1-[(Z)-1-(2-bromophenyl)ethylideneamino]-3-(2,4-difluorophenyl)thiourea
CID 6055009
1-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-3-methylthiourea
CID 3005303
(Z)-1-(2-fluorophenyl)-N-methoxyethanimine
CID 18416418

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea?
The IUPAC name of 1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea (CID 9071843) is 1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea.
What is the SMILES notation for 1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea?
The canonical SMILES for 1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea is CNC(=S)N/N=C(/C)c1ccccc1F.
What is the InChIKey of 1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea?
The InChIKey is NKFHDJKCORTZEY-QPEQYQDCSA-N. The full InChI is InChI=1S/C10H12FN3S/c1-7(13-14-10(15)12-2)8-5-3-4-6-9(8)11/h3-6H,1-2H3,(H2,12,14,15)/b13-7-.
What are the key properties of 1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea?
1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea has a molecular weight of 225.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(2-fluorophenyl)ethylideneamino]-3-methylthiourea is sourced from PubChem (CID 9071843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).