1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea

C14H15FN2OS — CID 100756080

IUPAC1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea
SMILESFc1ccccc1NC(=S)NCCCc1ccco1
InChIInChI=1S/C14H15FN2OS/c15-12-7-1-2-8-13(12)17-14(19)16-9-3-5-11-6-4-10-18-11/h1-2,4,6-8,10H,3,5,9H2,(H2,16,17,19)
InChIKeyFDCNERDKGLWSMU-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.34
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea

1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea (PubChem CID 100756080) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea
PubChem CID100756080
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea
SMILESFc1ccccc1NC(=S)NCCCc1ccco1
InChIInChI=1S/C14H15FN2OS/c15-12-7-1-2-8-13(12)17-14(19)16-9-3-5-11-6-4-10-18-11/h1-2,4,6-8,10H,3,5,9H2,(H2,16,17,19)
InChIKeyFDCNERDKGLWSMU-UHFFFAOYSA-N
XLogP3.34
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethoxyphenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100756038
1-(2,5-dimethylphenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100755959
1-[3-(furan-2-yl)propyl]-3-pyridin-4-ylthiourea
CID 100756414
1-(2-fluorophenyl)-3-(2-phenylethyl)thiourea
CID 2298907
2-(2-fluorophenyl)-N-[3-(furan-2-yl)propyl]acetamide
CID 100637712
1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607924
3-(2-fluorophenyl)-1,1-bis(furan-2-ylmethyl)thiourea
CID 8727183
1-[3-(2-ethoxyphenyl)propyl]-3-(2-fluorophenyl)thiourea
CID 100614954
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylphenyl)thiourea
CID 8563922
1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea
CID 8728003
methyl 6-[(2-fluorophenyl)carbamothioylamino]hexanoate
CID 8658166
1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 17409766

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea?
The IUPAC name of 1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea (CID 100756080) is 1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea is Fc1ccccc1NC(=S)NCCCc1ccco1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea?
The InChIKey is FDCNERDKGLWSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c15-12-7-1-2-8-13(12)17-14(19)16-9-3-5-11-6-4-10-18-11/h1-2,4,6-8,10H,3,5,9H2,(H2,16,17,19).
What are the key properties of 1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea?
1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea has a molecular weight of 278.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea is sourced from PubChem (CID 100756080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).