1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea

C14H16N2OS — CID 58752896

IUPAC1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea
SMILESCCc1ccc(NC(=S)NCc2ccoc2)cc1
InChIInChI=1S/C14H16N2OS/c1-2-11-3-5-13(6-4-11)16-14(18)15-9-12-7-8-17-10-12/h3-8,10H,2,9H2,1H3,(H2,15,16,18)
InChIKeyDMAHEJOMKGQYQW-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.33
Rot. Bonds4

About 1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea

1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea (PubChem CID 58752896) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea
PubChem CID58752896
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea
SMILESCCc1ccc(NC(=S)NCc2ccoc2)cc1
InChIInChI=1S/C14H16N2OS/c1-2-11-3-5-13(6-4-11)16-14(18)15-9-12-7-8-17-10-12/h3-8,10H,2,9H2,1H3,(H2,15,16,18)
InChIKeyDMAHEJOMKGQYQW-UHFFFAOYSA-N
XLogP3.33
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.33
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-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 8659235
1-(4-ethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077073
1-(4-ethylphenyl)-3-(4-hydroxyphenyl)thiourea
CID 23913156
3-ethylfuran;methanol
CID 174626479
1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
CID 8615053
1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-(4-ethylphenyl)thiourea
CID 19325073
1-dodecyl-3-(4-ethylphenyl)thiourea
CID 19651364
1-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]thiourea
CID 4533202
3-[(4-ethylphenyl)carbamothioylamino]propanoic acid
CID 3008620
1-butan-2-yl-3-(4-ethylphenyl)thiourea
CID 19652039
(2S)-2-amino-N-(furan-3-ylmethyl)-3-methylpentanethioamide
CID 87548757
methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate
CID 55161652

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea?
The IUPAC name of 1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea (CID 58752896) is 1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea is CCc1ccc(NC(=S)NCc2ccoc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea?
The InChIKey is DMAHEJOMKGQYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-11-3-5-13(6-4-11)16-14(18)15-9-12-7-8-17-10-12/h3-8,10H,2,9H2,1H3,(H2,15,16,18).
What are the key properties of 1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea?
1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea has a molecular weight of 260.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(furan-3-ylmethyl)thiourea is sourced from PubChem (CID 58752896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).