3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea

C15H18N2S2 — CID 8681181

IUPAC3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
SMILESCCc1ccc(NC(=S)N(C)Cc2cccs2)cc1
InChIInChI=1S/C15H18N2S2/c1-3-12-6-8-13(9-7-12)16-15(18)17(2)11-14-5-4-10-19-14/h4-10H,3,11H2,1-2H3,(H,16,18)
InChIKeyCZKUMOOYYOCGLK-UHFFFAOYSA-N
MW290.46 g/mol
LogP4.14
Rot. Bonds4

About 3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea

3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea (PubChem CID 8681181) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
PubChem CID8681181
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC Name3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea
SMILESCCc1ccc(NC(=S)N(C)Cc2cccs2)cc1
InChIInChI=1S/C15H18N2S2/c1-3-12-6-8-13(9-7-12)16-15(18)17(2)11-14-5-4-10-19-14/h4-10H,3,11H2,1-2H3,(H,16,18)
InChIKeyCZKUMOOYYOCGLK-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 54.14
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

1-methyl-3-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 8681187
3-(4-ethylphenyl)-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 7954747
3-(4-ethylphenyl)-1-methyl-1-[(4-methylphenyl)methyl]thiourea
CID 8681314
3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(thiophen-2-ylmethyl)thiourea
CID 8628567
1-methyl-3-propan-2-yl-1-(thiophen-2-ylmethyl)thiourea
CID 115570918
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355
1-[(4-ethoxyphenyl)methyl]-3-(4-ethylphenyl)-1-methylthiourea
CID 8680251
1-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)thiourea
CID 115570920
3-cyclopropyl-1-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 115570921
1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
1-(4-ethylphenyl)-3-[(1R,5S)-8-(thiophen-2-ylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]thiourea
CID 7389624
3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 27868223

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea (CID 8681181) is 3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea is CCc1ccc(NC(=S)N(C)Cc2cccs2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea?
The InChIKey is CZKUMOOYYOCGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-3-12-6-8-13(9-7-12)16-15(18)17(2)11-14-5-4-10-19-14/h4-10H,3,11H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea?
3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea has a molecular weight of 290.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-methyl-1-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 8681181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).