1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea

C15H18N2S2 — CID 9284077

IUPAC1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea
SMILESCN(Cc1ccsc1)C(=S)NCCc1ccccc1
InChIInChI=1S/C15H18N2S2/c1-17(11-14-8-10-19-12-14)15(18)16-9-7-13-5-3-2-4-6-13/h2-6,8,10,12H,7,9,11H2,1H3,(H,16,18)
InChIKeyQZYACKNKJQVHHS-UHFFFAOYSA-N
MW290.46 g/mol
LogP3.30
Rot. Bonds5

About 1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea

1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea (PubChem CID 9284077) has the molecular formula C15H18N2S2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea.

Molecular Properties

Compound Name1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea
PubChem CID9284077
Molecular FormulaC15H18N2S2
Molecular Weight290.46 g/mol
Exact Mass290.09
IUPAC Name1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea
SMILESCN(Cc1ccsc1)C(=S)NCCc1ccccc1
InChIInChI=1S/C15H18N2S2/c1-17(11-14-8-10-19-12-14)15(18)16-9-7-13-5-3-2-4-6-13/h2-6,8,10,12H,7,9,11H2,1H3,(H,16,18)
InChIKeyQZYACKNKJQVHHS-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 53.30
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-1-[(4-methylphenyl)methyl]-3-(2-phenylethyl)thiourea
CID 8770481
1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea
CID 8530762
1,3-dibenzyl-1-methylthiourea
CID 3811555
1-ethyl-3-(2-phenylethyl)-2-(thiophen-3-ylmethyl)guanidine
CID 111135395
phenyl N-methyl-N-(thiophen-3-ylmethyl)carbamate
CID 60666169
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-methyl-3-(2-phenylethyl)thiourea
CID 19464871
2-[methyl(2-thiophen-3-ylethylcarbamoyl)amino]acetic acid
CID 61475397
(2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94023398
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62167817
1-benzyl-1,3-bis(2-phenylethyl)thiourea
CID 7941441
1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea
CID 135570435
3-butyl-1-methyl-1-(2-phenylethyl)thiourea
CID 115583653

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea?
The IUPAC name of 1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea (CID 9284077) is 1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea.
What is the SMILES notation for 1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea?
The canonical SMILES for 1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea is CN(Cc1ccsc1)C(=S)NCCc1ccccc1.
What is the InChIKey of 1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea?
The InChIKey is QZYACKNKJQVHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S2/c1-17(11-14-8-10-19-12-14)15(18)16-9-7-13-5-3-2-4-6-13/h2-6,8,10,12H,7,9,11H2,1H3,(H,16,18).
What are the key properties of 1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea?
1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea has a molecular weight of 290.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea is sourced from PubChem (CID 9284077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).