3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea

C19H20N2S3 — CID 8561767

IUPAC3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea
SMILESCc1cccc(NC(=S)N(CCc2cccs2)Cc2cccs2)c1
InChIInChI=1S/C19H20N2S3/c1-15-5-2-6-16(13-15)20-19(22)21(14-18-8-4-12-24-18)10-9-17-7-3-11-23-17/h2-8,11-13H,9-10,14H2,1H3,(H,20,22)
InChIKeyQOPJOPJAEODXTJ-UHFFFAOYSA-N
MW372.58 g/mol
LogP5.56
Rot. Bonds6

About 3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea

3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea (PubChem CID 8561767) has the molecular formula C19H20N2S3 and a molecular weight of 372.58 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea
PubChem CID8561767
Molecular FormulaC19H20N2S3
Molecular Weight372.58 g/mol
Exact Mass372.08
IUPAC Name3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea
SMILESCc1cccc(NC(=S)N(CCc2cccs2)Cc2cccs2)c1
InChIInChI=1S/C19H20N2S3/c1-15-5-2-6-16(13-15)20-19(22)21(14-18-8-4-12-24-18)10-9-17-7-3-11-23-17/h2-8,11-13H,9-10,14H2,1H3,(H,20,22)
InChIKeyQOPJOPJAEODXTJ-UHFFFAOYSA-N
XLogP5.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.58
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[3-[(3-methylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl]azanium
CID 7943664
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(3-methylphenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 2157787
3-(3-chloro-4-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 8561785
3-[(3-bromophenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethylazanium
CID 9236691
1-[2-(dimethylamino)ethyl]-3-(3,4-dimethylphenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 3507286
1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583385
1-benzyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)thiourea
CID 7942645
1-[2-(4-chlorophenyl)sulfonylethyl]-3-(3,5-dimethylphenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 134113632
1-[3-[butyl(methyl)amino]propyl]-3-(3-methylsulfanylphenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 46504242
1-benzyl-3-(3-methoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea
CID 4164397
N'-methyl-N-(3-methylphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560213
3-[(3-chloro-4-methylphenyl)carbamothioyl-(thiophen-2-ylmethyl)amino]propyl-dimethylazanium
CID 8676254

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea (CID 8561767) is 3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea is Cc1cccc(NC(=S)N(CCc2cccs2)Cc2cccs2)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea?
The InChIKey is QOPJOPJAEODXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2S3/c1-15-5-2-6-16(13-15)20-19(22)21(14-18-8-4-12-24-18)10-9-17-7-3-11-23-17/h2-8,11-13H,9-10,14H2,1H3,(H,20,22).
What are the key properties of 3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea?
3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea has a molecular weight of 372.58 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)-1-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 8561767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).