1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea

C14H15FN2OS — CID 8618969

IUPAC1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
SMILESFc1ccc(CCNC(=S)NCc2ccco2)cc1
InChIInChI=1S/C14H15FN2OS/c15-12-5-3-11(4-6-12)7-8-16-14(19)17-10-13-2-1-9-18-13/h1-6,9H,7-8,10H2,(H2,16,17,19)
InChIKeyCATBMKHMSDUPRS-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.63
Rot. Bonds5

About 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea

1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea (PubChem CID 8618969) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
PubChem CID8618969
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
SMILESFc1ccc(CCNC(=S)NCc2ccco2)cc1
InChIInChI=1S/C14H15FN2OS/c15-12-5-3-11(4-6-12)7-8-16-14(19)17-10-13-2-1-9-18-13/h1-6,9H,7-8,10H2,(H2,16,17,19)
InChIKeyCATBMKHMSDUPRS-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid
CID 91969457
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 2954103
1-(4-fluoroanilino)-3-(furan-2-ylmethyl)thiourea
CID 8669178
1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea
CID 8728003
1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 2210389
1-[2-(4-fluorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111228882
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 7944842
1-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1-methylthiourea
CID 2444352
1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea
CID 19649747
1-dodecyl-3-(furan-2-ylmethyl)thiourea
CID 19651410
1-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324
1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(furan-2-ylmethyl)thiourea
CID 19342457

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea (CID 8618969) is 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea is Fc1ccc(CCNC(=S)NCc2ccco2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea?
The InChIKey is CATBMKHMSDUPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c15-12-5-3-11(4-6-12)7-8-16-14(19)17-10-13-2-1-9-18-13/h1-6,9H,7-8,10H2,(H2,16,17,19).
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea?
1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea has a molecular weight of 278.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea is sourced from PubChem (CID 8618969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).