1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea

C15H18N2OS — CID 7943561

IUPAC1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea
SMILESCCN(C(=S)NCc1ccco1)c1ccccc1C
InChIInChI=1S/C15H18N2OS/c1-3-17(14-9-5-4-7-12(14)2)15(19)16-11-13-8-6-10-18-13/h4-10H,3,11H2,1-2H3,(H,16,19)
InChIKeyKOAOPTCOBFVGPC-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.49
Rot. Bonds4

About 1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea

1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea (PubChem CID 7943561) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea
PubChem CID7943561
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea
SMILESCCN(C(=S)NCc1ccco1)c1ccccc1C
InChIInChI=1S/C15H18N2OS/c1-3-17(14-9-5-4-7-12(14)2)15(19)16-11-13-8-6-10-18-13/h4-10H,3,11H2,1-2H3,(H,16,19)
InChIKeyKOAOPTCOBFVGPC-UHFFFAOYSA-N
XLogP3.49
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-ylmethyl)-1,1-dipropylthiourea
CID 19653033
1-(furan-2-ylmethyl)-3-[(Z)-(2-methylphenyl)methylideneamino]thiourea
CID 7808774
N-(furan-2-ylmethyl)-2,2-dimethylpropanethioamide
CID 58911707
N-(furan-2-ylmethyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288249
N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025966
1-cyclohexyl-3-(furan-2-ylmethyl)-1-methylthiourea
CID 23883035
1-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethyl)-1-methylthiourea
CID 8786011
1-(2-chloro-6-methylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 3275137
1-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-1-methylthiourea
CID 2444352
amino N-(furan-2-ylmethyl)carbamodithioate
CID 4258189
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylbenzoyl)amino]pyrazole-3-carboxamide
CID 19400381
2-(2-aminophenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 18070776

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea?
The IUPAC name of 1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea (CID 7943561) is 1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea?
The canonical SMILES for 1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea is CCN(C(=S)NCc1ccco1)c1ccccc1C.
What is the InChIKey of 1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea?
The InChIKey is KOAOPTCOBFVGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-3-17(14-9-5-4-7-12(14)2)15(19)16-11-13-8-6-10-18-13/h4-10H,3,11H2,1-2H3,(H,16,19).
What are the key properties of 1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea?
1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea has a molecular weight of 274.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(furan-2-ylmethyl)-1-(2-methylphenyl)thiourea is sourced from PubChem (CID 7943561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).