1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea

C17H14FN5O2S — CID 9468840

IUPAC1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea
SMILESO=C(Cn1cnc2ccccc2c1=O)NNC(=S)Nc1ccccc1F
InChIInChI=1S/C17H14FN5O2S/c18-12-6-2-4-8-14(12)20-17(26)22-21-15(24)9-23-10-19-13-7-3-1-5-11(13)16(23)25/h1-8,10H,9H2,(H,21,24)(H2,20,22,26)
InChIKeyLGVOZJDFXXGBFQ-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.55
Rot. Bonds3

About 1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea

1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea (PubChem CID 9468840) has the molecular formula C17H14FN5O2S and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea
PubChem CID9468840
Molecular FormulaC17H14FN5O2S
Molecular Weight371.40 g/mol
Exact Mass371.09
IUPAC Name1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea
SMILESO=C(Cn1cnc2ccccc2c1=O)NNC(=S)Nc1ccccc1F
InChIInChI=1S/C17H14FN5O2S/c18-12-6-2-4-8-14(12)20-17(26)22-21-15(24)9-23-10-19-13-7-3-1-5-11(13)16(23)25/h1-8,10H,9H2,(H,21,24)(H2,20,22,26)
InChIKeyLGVOZJDFXXGBFQ-UHFFFAOYSA-N
XLogP1.55
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
CID 15994100
2-fluoro-N'-[2-(4-oxoquinazolin-3-yl)acetyl]benzohydrazide
CID 4827693
N'-[2-(4-fluorophenoxy)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7910774
N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 4808995
2-methyl-N'-[2-(4-oxoquinazolin-3-yl)acetyl]propanehydrazide
CID 24542922
1-[(4-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea
CID 9479013
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 55847584
N'-[2-(4-oxoquinazolin-3-yl)acetyl]cyclopropanecarbohydrazide
CID 26799065
N-(2-fluorophenyl)-2-(6-nitro-4-oxoquinazolin-3-yl)acetamide
CID 4826132
N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51363052
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-2-(4-oxoquinazolin-3-yl)acetohydrazide
CID 7969443
1-[[2-(benzimidazol-1-yl)acetyl]amino]-3-(2,3-dimethylphenyl)thiourea
CID 8659501

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea (CID 9468840) is 1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea is O=C(Cn1cnc2ccccc2c1=O)NNC(=S)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea?
The InChIKey is LGVOZJDFXXGBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2S/c18-12-6-2-4-8-14(12)20-17(26)22-21-15(24)9-23-10-19-13-7-3-1-5-11(13)16(23)25/h1-8,10H,9H2,(H,21,24)(H2,20,22,26).
What are the key properties of 1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea?
1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea has a molecular weight of 371.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]thiourea is sourced from PubChem (CID 9468840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).