1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea

C12H11FN4S — CID 16654066

IUPAC1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea
SMILESFc1ccc(NC(=S)NNc2ccccn2)cc1
InChIInChI=1S/C12H11FN4S/c13-9-4-6-10(7-5-9)15-12(18)17-16-11-3-1-2-8-14-11/h1-8H,(H,14,16)(H2,15,17,18)
InChIKeyUZOWNDKXUOEVRR-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.53
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea

1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea (PubChem CID 16654066) has the molecular formula C12H11FN4S and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea
PubChem CID16654066
Molecular FormulaC12H11FN4S
Molecular Weight262.31 g/mol
Exact Mass262.07
IUPAC Name1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea
SMILESFc1ccc(NC(=S)NNc2ccccn2)cc1
InChIInChI=1S/C12H11FN4S/c13-9-4-6-10(7-5-9)15-12(18)17-16-11-3-1-2-8-14-11/h1-8H,(H,14,16)(H2,15,17,18)
InChIKeyUZOWNDKXUOEVRR-UHFFFAOYSA-N
XLogP2.53
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea?
The IUPAC name of 1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea (CID 16654066) is 1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea is Fc1ccc(NC(=S)NNc2ccccn2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea?
The InChIKey is UZOWNDKXUOEVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4S/c13-9-4-6-10(7-5-9)15-12(18)17-16-11-3-1-2-8-14-11/h1-8H,(H,14,16)(H2,15,17,18).
What are the key properties of 1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea?
1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea has a molecular weight of 262.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(pyridin-2-ylamino)thiourea is sourced from PubChem (CID 16654066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).