1-amino-3-(2-fluoro-4-methylphenyl)thiourea

C8H10FN3S — CID 28934803

IUPAC1-amino-3-(2-fluoro-4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NN)c(F)c1
InChIInChI=1S/C8H10FN3S/c1-5-2-3-7(6(9)4-5)11-8(13)12-10/h2-4H,10H2,1H3,(H2,11,12,13)
InChIKeyPEWSIJRMELVGQX-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.29
Rot. Bonds1

About 1-amino-3-(2-fluoro-4-methylphenyl)thiourea

1-amino-3-(2-fluoro-4-methylphenyl)thiourea (PubChem CID 28934803) has the molecular formula C8H10FN3S and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-amino-3-(2-fluoro-4-methylphenyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2-fluoro-4-methylphenyl)thiourea
PubChem CID28934803
Molecular FormulaC8H10FN3S
Molecular Weight199.25 g/mol
Exact Mass199.06
IUPAC Name1-amino-3-(2-fluoro-4-methylphenyl)thiourea
SMILESCc1ccc(NC(=S)NN)c(F)c1
InChIInChI=1S/C8H10FN3S/c1-5-2-3-7(6(9)4-5)11-8(13)12-10/h2-4H,10H2,1H3,(H2,11,12,13)
InChIKeyPEWSIJRMELVGQX-UHFFFAOYSA-N
XLogP1.29
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.29
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'}

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Related Compounds

1-(2-bromophenyl)-3-(2-fluoro-4-methylphenyl)thiourea
CID 53364985
1-(3-chloro-4-fluorophenyl)-3-(2-fluoro-4-methylphenyl)thiourea
CID 53364990
1-[4-(diethylamino)-2-methylphenyl]-3-(2-fluoro-4-methylphenyl)thiourea
CID 53364968
3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide
CID 65264934
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
2-(2-fluoro-4-methylanilino)ethene-1,1,2-tricarbonitrile
CID 168601032
1-amino-3-(4-bromo-2-methylphenyl)thiourea
CID 28934698
1-amino-3-(4-fluoro-2-iodophenyl)thiourea
CID 79766584
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
2-(2-aminoethoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 79463499
1-(2,4-difluorophenyl)-3-methylthiourea
CID 2729992
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-fluoro-4-methylphenyl)thiourea?
The IUPAC name of 1-amino-3-(2-fluoro-4-methylphenyl)thiourea (CID 28934803) is 1-amino-3-(2-fluoro-4-methylphenyl)thiourea.
What is the SMILES notation for 1-amino-3-(2-fluoro-4-methylphenyl)thiourea?
The canonical SMILES for 1-amino-3-(2-fluoro-4-methylphenyl)thiourea is Cc1ccc(NC(=S)NN)c(F)c1.
What is the InChIKey of 1-amino-3-(2-fluoro-4-methylphenyl)thiourea?
The InChIKey is PEWSIJRMELVGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3S/c1-5-2-3-7(6(9)4-5)11-8(13)12-10/h2-4H,10H2,1H3,(H2,11,12,13).
What are the key properties of 1-amino-3-(2-fluoro-4-methylphenyl)thiourea?
1-amino-3-(2-fluoro-4-methylphenyl)thiourea has a molecular weight of 199.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-fluoro-4-methylphenyl)thiourea is sourced from PubChem (CID 28934803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).