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

C18H21N3S — CID 24797554

IUPAC[7-(butylamino)-9H-fluoren-2-yl]thiourea
SMILESCCCCNc1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2
InChIInChI=1S/C18H21N3S/c1-2-3-8-20-14-4-6-16-12(10-14)9-13-11-15(21-18(19)22)5-7-17(13)16/h4-7,10-11,20H,2-3,8-9H2,1H3,(H3,19,21,22)
InChIKeyRYTLRQGGKXXELJ-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.13
Rot. Bonds5

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

[7-(butylamino)-9H-fluoren-2-yl]thiourea (PubChem CID 24797554) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is [7-(butylamino)-9H-fluoren-2-yl]thiourea.

Molecular Properties

Compound Name[7-(butylamino)-9H-fluoren-2-yl]thiourea
PubChem CID24797554
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC Name[7-(butylamino)-9H-fluoren-2-yl]thiourea
SMILESCCCCNc1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2
InChIInChI=1S/C18H21N3S/c1-2-3-8-20-14-4-6-16-12(10-14)9-13-11-15(21-18(19)22)5-7-17(13)16/h4-7,10-11,20H,2-3,8-9H2,1H3,(H3,19,21,22)
InChIKeyRYTLRQGGKXXELJ-UHFFFAOYSA-N
XLogP4.13
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [7-(butylamino)-9H-fluoren-2-yl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiourea, N-phenyl-N'-(3-phenylpropyl)-
CID 3549496
(3,4-Dimethylphenyl)thiourea
CID 854809
N-bicyclo[2.2.1]hept-5-en-2-yl-N'-(4-isopropylphenyl)thiourea
CID 2809374
N-(2,3-Dihydro-1H-inden-5-YL)-N'-(4-methylphenyl)urea
CID 24819566
N'-(3,4-dimethylphenyl)-N,N-dimethylthiourea
CID 2731044
2-Diethylaminofluorene
CID 224047
N,N'-di(9H-fluoren-2-yl)thiourea
CID 3246089
1-Benzyl-3-(2,4-dimethyl-phenyl)-thiourea
CID 765098
1-(2,3-Dimethylphenyl)-3-(4-fluorobenzyl)thiourea
CID 799729
1-Cyclopentyl-3-(2,3-dimethylphenyl)thiourea
CID 800148
1-(2,3-Dimethylphenyl)-3-(2-phenylethyl)thiourea
CID 800320
1-Benzyl-3-(3,4-dimethylphenyl)thiourea
CID 820146

Frequently Asked Questions

What is the IUPAC name of [7-(butylamino)-9H-fluoren-2-yl]thiourea?
The IUPAC name of [7-(butylamino)-9H-fluoren-2-yl]thiourea (CID 24797554) is [7-(butylamino)-9H-fluoren-2-yl]thiourea.
What is the SMILES notation for [7-(butylamino)-9H-fluoren-2-yl]thiourea?
The canonical SMILES for [7-(butylamino)-9H-fluoren-2-yl]thiourea is CCCCNc1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2.
What is the InChIKey of [7-(butylamino)-9H-fluoren-2-yl]thiourea?
The InChIKey is RYTLRQGGKXXELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-2-3-8-20-14-4-6-16-12(10-14)9-13-11-15(21-18(19)22)5-7-17(13)16/h4-7,10-11,20H,2-3,8-9H2,1H3,(H3,19,21,22).
What are the key properties of [7-(butylamino)-9H-fluoren-2-yl]thiourea?
[7-(butylamino)-9H-fluoren-2-yl]thiourea has a molecular weight of 311.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(butylamino)-9H-fluoren-2-yl]thiourea is sourced from PubChem (CID 24797554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).