1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea

C14H18N2O2S2 — CID 16554026

IUPAC1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
SMILESCOCCNC(=S)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C14H18N2O2S2/c1-17-8-6-15-14(19)16(10-12-4-2-7-18-12)11-13-5-3-9-20-13/h2-5,7,9H,6,8,10-11H2,1H3,(H,15,19)
InChIKeyWNZKFVPETSCUMI-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.86
Rot. Bonds7

About 1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea

1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea (PubChem CID 16554026) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
PubChem CID16554026
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
SMILESCOCCNC(=S)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C14H18N2O2S2/c1-17-8-6-15-14(19)16(10-12-4-2-7-18-12)11-13-5-3-9-20-13/h2-5,7,9H,6,8,10-11H2,1H3,(H,15,19)
InChIKeyWNZKFVPETSCUMI-UHFFFAOYSA-N
XLogP2.86
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 115571943
3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 7954747
1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(oxolan-2-ylmethyl)thiourea
CID 47510896
3-(3-chloro-4-methylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 7988182
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
CID 27718189
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 18090196
1-benzyl-1-(furan-2-ylmethyl)-3-propylthiourea
CID 17385332
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
4-[[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 122021768

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea (CID 16554026) is 1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea is COCCNC(=S)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea?
The InChIKey is WNZKFVPETSCUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-17-8-6-15-14(19)16(10-12-4-2-7-18-12)11-13-5-3-9-20-13/h2-5,7,9H,6,8,10-11H2,1H3,(H,15,19).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea?
1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea has a molecular weight of 310.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 16554026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).