1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea

C17H13FN4OS — CID 9468669

IUPAC1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea
SMILESO=C(NNC(=S)Nc1ccccc1F)c1ccc2ccccc2n1
InChIInChI=1S/C17H13FN4OS/c18-12-6-2-4-8-14(12)20-17(24)22-21-16(23)15-10-9-11-5-1-3-7-13(11)19-15/h1-10H,(H,21,23)(H2,20,22,24)
InChIKeyIYWZIWKQMFQPMP-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.01
Rot. Bonds2

About 1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea

1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea (PubChem CID 9468669) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea
PubChem CID9468669
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC Name1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea
SMILESO=C(NNC(=S)Nc1ccccc1F)c1ccc2ccccc2n1
InChIInChI=1S/C17H13FN4OS/c18-12-6-2-4-8-14(12)20-17(24)22-21-16(23)15-10-9-11-5-1-3-7-13(11)19-15/h1-10H,(H,21,23)(H2,20,22,24)
InChIKeyIYWZIWKQMFQPMP-UHFFFAOYSA-N
XLogP3.01
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.01
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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Related Compounds

1-(4-propan-2-ylphenyl)-3-(quinoline-2-carbonylamino)thiourea
CID 9157805
1-(3-bromophenyl)-3-(quinoline-2-carbonylamino)thiourea
CID 26956955
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065860
N'-[2-(2-fluorophenyl)sulfanylacetyl]quinoline-2-carbohydrazide
CID 7780075
1-(2-fluorophenyl)-3-quinolin-2-ylurea
CID 2812960
N'-(2,3,5,6-tetrafluorophenyl)quinoline-2-carbohydrazide
CID 2688154
N'-(3-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35063560
N'-(4-bromo-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065853
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891
N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 127043003

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea (CID 9468669) is 1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea is O=C(NNC(=S)Nc1ccccc1F)c1ccc2ccccc2n1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea?
The InChIKey is IYWZIWKQMFQPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c18-12-6-2-4-8-14(12)20-17(24)22-21-16(23)15-10-9-11-5-1-3-7-13(11)19-15/h1-10H,(H,21,23)(H2,20,22,24).
What are the key properties of 1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea?
1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea has a molecular weight of 340.38 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(quinoline-2-carbonylamino)thiourea is sourced from PubChem (CID 9468669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).