1-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea

C16H13FN4OS — CID 9278241

IUPAC1-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea
SMILESO=C(NNC(=S)Nc1ccccc1F)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H13FN4OS/c17-11-6-2-4-8-13(11)19-16(23)21-20-15(22)14-9-10-5-1-3-7-12(10)18-14/h1-9,18H,(H,20,22)(H2,19,21,23)
InChIKeyNOYYDENCABIMDX-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.94
Rot. Bonds2

About 1-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea

1-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea (PubChem CID 9278241) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea
PubChem CID9278241
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC Name1-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea
SMILESO=C(NNC(=S)Nc1ccccc1F)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H13FN4OS/c17-11-6-2-4-8-13(11)19-16(23)21-20-15(22)14-9-10-5-1-3-7-12(10)18-14/h1-9,18H,(H,20,22)(H2,19,21,23)
InChIKeyNOYYDENCABIMDX-UHFFFAOYSA-N
XLogP2.94
TPSA68.95 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea (CID 9278241) is 1-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea is O=C(NNC(=S)Nc1ccccc1F)c1cc2ccccc2[nH]1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea?
The InChIKey is NOYYDENCABIMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4OS/c17-11-6-2-4-8-13(11)19-16(23)21-20-15(22)14-9-10-5-1-3-7-12(10)18-14/h1-9,18H,(H,20,22)(H2,19,21,23).
What are the key properties of 1-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea?
1-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea has a molecular weight of 328.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)thiourea is sourced from PubChem (CID 9278241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).