1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea

C14H16N2OS — CID 8728003

IUPAC1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea
SMILESS=C(NCCc1ccco1)NCc1ccccc1
InChIInChI=1S/C14H16N2OS/c18-14(15-9-8-13-7-4-10-17-13)16-11-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H2,15,16,18)
InChIKeyFXADLZFYAFONTM-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.49
Rot. Bonds5

About 1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea

1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea (PubChem CID 8728003) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea
PubChem CID8728003
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea
SMILESS=C(NCCc1ccco1)NCc1ccccc1
InChIInChI=1S/C14H16N2OS/c18-14(15-9-8-13-7-4-10-17-13)16-11-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H2,15,16,18)
InChIKeyFXADLZFYAFONTM-UHFFFAOYSA-N
XLogP2.49
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.49
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

1-[2-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 8618969
2-(furan-2-yl)ethylthiourea
CID 61472901
1-benzyl-3-propylthiourea
CID 12725927
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea
CID 113218414
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 2954103
N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
1-[2-(cyclohexen-1-yl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 2210389
1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)thiourea
CID 3783893
1-(furan-2-ylmethyl)-3-undecylthiourea
CID 19651324
1-dodecyl-3-(furan-2-ylmethyl)thiourea
CID 19651410
N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 107025115
N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide
CID 2211304

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea?
The IUPAC name of 1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea (CID 8728003) is 1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea.
What is the SMILES notation for 1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea?
The canonical SMILES for 1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea is S=C(NCCc1ccco1)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea?
The InChIKey is FXADLZFYAFONTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c18-14(15-9-8-13-7-4-10-17-13)16-11-12-5-2-1-3-6-12/h1-7,10H,8-9,11H2,(H2,15,16,18).
What are the key properties of 1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea?
1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea has a molecular weight of 260.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(furan-2-yl)ethyl]thiourea is sourced from PubChem (CID 8728003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).