1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea

C15H18N2OS2 — CID 2911144

IUPAC1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea
SMILESCCOc1ccc(NC(=S)NC(C)c2cccs2)cc1
InChIInChI=1S/C15H18N2OS2/c1-3-18-13-8-6-12(7-9-13)17-15(19)16-11(2)14-5-4-10-20-14/h4-11H,3H2,1-2H3,(H2,16,17,19)
InChIKeyBCQFBFAOXIBMPF-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.19
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea

1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea (PubChem CID 2911144) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea
PubChem CID2911144
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea
SMILESCCOc1ccc(NC(=S)NC(C)c2cccs2)cc1
InChIInChI=1S/C15H18N2OS2/c1-3-18-13-8-6-12(7-9-13)17-15(19)16-11(2)14-5-4-10-20-14/h4-11H,3H2,1-2H3,(H2,16,17,19)
InChIKeyBCQFBFAOXIBMPF-UHFFFAOYSA-N
XLogP4.19
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea (CID 2911144) is 1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea is CCOc1ccc(NC(=S)NC(C)c2cccs2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea?
The InChIKey is BCQFBFAOXIBMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-3-18-13-8-6-12(7-9-13)17-15(19)16-11(2)14-5-4-10-20-14/h4-11H,3H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea?
1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea has a molecular weight of 306.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(1-thiophen-2-ylethyl)thiourea is sourced from PubChem (CID 2911144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).