3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea

C17H15FN2O2S — CID 8727183

IUPAC3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea
SMILESFc1ccccc1NC(=S)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C17H15FN2O2S/c18-15-7-1-2-8-16(15)19-17(23)20(11-13-5-3-9-21-13)12-14-6-4-10-22-14/h1-10H,11-12H2,(H,19,23)
InChIKeyFLXPKECPIVAAMC-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.41
Rot. Bonds5

About 3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea

3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea (PubChem CID 8727183) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea
PubChem CID8727183
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Name3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea
SMILESFc1ccccc1NC(=S)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C17H15FN2O2S/c18-15-7-1-2-8-16(15)19-17(23)20(11-13-5-3-9-21-13)12-14-6-4-10-22-14/h1-10H,11-12H2,(H,19,23)
InChIKeyFLXPKECPIVAAMC-UHFFFAOYSA-N
XLogP4.41
TPSA41.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)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

1-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-3-(2-methylphenyl)thiourea
CID 17388192
1-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17371088
1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100756080
3-(2-ethoxyphenyl)-1-(furan-2-ylmethyl)-1-[(4-methylphenyl)methyl]thiourea
CID 5170461
3-(2,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]thiourea
CID 8679459
1-[(2,3-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)-1-(furan-2-ylmethyl)thiourea
CID 4232688
1-[(2,5-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)-1-(furan-2-ylmethyl)thiourea
CID 4299821
3-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]thiourea
CID 8679460
3-(4-ethoxyphenyl)-1,1-bis(furan-2-ylmethyl)thiourea
CID 4122094
N-[[2-(dimethylamino)-5-[(2-fluorophenyl)carbamoylamino]phenyl]methyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 46111224
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(furan-2-ylmethyl)-1-(pyridin-2-ylmethyl)thiourea
CID 22778374
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(furan-2-ylmethyl)-1-[(5-methylfuran-2-yl)methyl]thiourea
CID 22778926

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea?
The IUPAC name of 3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea (CID 8727183) is 3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea?
The canonical SMILES for 3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea is Fc1ccccc1NC(=S)N(Cc1ccco1)Cc1ccco1.
What is the InChIKey of 3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea?
The InChIKey is FLXPKECPIVAAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c18-15-7-1-2-8-16(15)19-17(23)20(11-13-5-3-9-21-13)12-14-6-4-10-22-14/h1-10H,11-12H2,(H,19,23).
What are the key properties of 3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea?
3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea has a molecular weight of 330.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 8727183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).