[7-(diethylamino)-9H-fluoren-2-yl]thiourea

C18H21N3S — CID 24797462

IUPAC[7-(diethylamino)-9H-fluoren-2-yl]thiourea
SMILESCCN(CC)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2
InChIInChI=1S/C18H21N3S/c1-3-21(4-2)15-6-8-17-13(11-15)9-12-10-14(20-18(19)22)5-7-16(12)17/h5-8,10-11H,3-4,9H2,1-2H3,(H3,19,20,22)
InChIKeyNPVYKHJCPPUPQR-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.76
Rot. Bonds4

About [7-(diethylamino)-9H-fluoren-2-yl]thiourea

[7-(diethylamino)-9H-fluoren-2-yl]thiourea (PubChem CID 24797462) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is [7-(diethylamino)-9H-fluoren-2-yl]thiourea.

Molecular Properties

Compound Name[7-(diethylamino)-9H-fluoren-2-yl]thiourea
PubChem CID24797462
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC Name[7-(diethylamino)-9H-fluoren-2-yl]thiourea
SMILESCCN(CC)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2
InChIInChI=1S/C18H21N3S/c1-3-21(4-2)15-6-8-17-13(11-15)9-12-10-14(20-18(19)22)5-7-16(12)17/h5-8,10-11H,3-4,9H2,1-2H3,(H3,19,20,22)
InChIKeyNPVYKHJCPPUPQR-UHFFFAOYSA-N
XLogP3.76
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [7-(diethylamino)-9H-fluoren-2-yl]thiourea?
The IUPAC name of [7-(diethylamino)-9H-fluoren-2-yl]thiourea (CID 24797462) is [7-(diethylamino)-9H-fluoren-2-yl]thiourea.
What is the SMILES notation for [7-(diethylamino)-9H-fluoren-2-yl]thiourea?
The canonical SMILES for [7-(diethylamino)-9H-fluoren-2-yl]thiourea is CCN(CC)c1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2.
What is the InChIKey of [7-(diethylamino)-9H-fluoren-2-yl]thiourea?
The InChIKey is NPVYKHJCPPUPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-3-21(4-2)15-6-8-17-13(11-15)9-12-10-14(20-18(19)22)5-7-16(12)17/h5-8,10-11H,3-4,9H2,1-2H3,(H3,19,20,22).
What are the key properties of [7-(diethylamino)-9H-fluoren-2-yl]thiourea?
[7-(diethylamino)-9H-fluoren-2-yl]thiourea has a molecular weight of 311.45 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(diethylamino)-9H-fluoren-2-yl]thiourea is sourced from PubChem (CID 24797462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).