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

C17H19N3S — CID 24797553

IUPAC[7-(propylamino)-9H-fluoren-2-yl]thiourea
SMILESCCCNc1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2
InChIInChI=1S/C17H19N3S/c1-2-7-19-13-3-5-15-11(9-13)8-12-10-14(20-17(18)21)4-6-16(12)15/h3-6,9-10,19H,2,7-8H2,1H3,(H3,18,20,21)
InChIKeyPFYQZEQTQZVOSI-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.74
Rot. Bonds4

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

[7-(propylamino)-9H-fluoren-2-yl]thiourea (PubChem CID 24797553) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is [7-(propylamino)-9H-fluoren-2-yl]thiourea.

Molecular Properties

Compound Name[7-(propylamino)-9H-fluoren-2-yl]thiourea
PubChem CID24797553
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name[7-(propylamino)-9H-fluoren-2-yl]thiourea
SMILESCCCNc1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2
InChIInChI=1S/C17H19N3S/c1-2-7-19-13-3-5-15-11(9-13)8-12-10-14(20-17(18)21)4-6-16(12)15/h3-6,9-10,19H,2,7-8H2,1H3,(H3,18,20,21)
InChIKeyPFYQZEQTQZVOSI-UHFFFAOYSA-N
XLogP3.74
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.74
H-Bond Donors ≤ 53
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-(propylamino)-9H-fluoren-2-yl]thiourea?
The IUPAC name of [7-(propylamino)-9H-fluoren-2-yl]thiourea (CID 24797553) is [7-(propylamino)-9H-fluoren-2-yl]thiourea.
What is the SMILES notation for [7-(propylamino)-9H-fluoren-2-yl]thiourea?
The canonical SMILES for [7-(propylamino)-9H-fluoren-2-yl]thiourea is CCCNc1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2.
What is the InChIKey of [7-(propylamino)-9H-fluoren-2-yl]thiourea?
The InChIKey is PFYQZEQTQZVOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-2-7-19-13-3-5-15-11(9-13)8-12-10-14(20-17(18)21)4-6-16(12)15/h3-6,9-10,19H,2,7-8H2,1H3,(H3,18,20,21).
What are the key properties of [7-(propylamino)-9H-fluoren-2-yl]thiourea?
[7-(propylamino)-9H-fluoren-2-yl]thiourea has a molecular weight of 297.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(propylamino)-9H-fluoren-2-yl]thiourea is sourced from PubChem (CID 24797553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).