1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea

C12H18N2OS — CID 19649785

IUPAC1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
SMILESCOCCNC(=S)NC(C)c1ccccc1
InChIInChI=1S/C12H18N2OS/c1-10(11-6-4-3-5-7-11)14-12(16)13-8-9-15-2/h3-7,10H,8-9H2,1-2H3,(H2,13,14,16)
InChIKeyINZXYWULMMRFDC-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.86
Rot. Bonds5

About 1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea

1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea (PubChem CID 19649785) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
PubChem CID19649785
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea
SMILESCOCCNC(=S)NC(C)c1ccccc1
InChIInChI=1S/C12H18N2OS/c1-10(11-6-4-3-5-7-11)14-12(16)13-8-9-15-2/h3-7,10H,8-9H2,1-2H3,(H2,13,14,16)
InChIKeyINZXYWULMMRFDC-UHFFFAOYSA-N
XLogP1.86
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-3-[(R)-(4-methylphenyl)-phenylmethyl]thiourea
CID 8696634
1-(2-methoxyethyl)-3-[(1R)-1-naphthalen-1-ylethyl]thiourea
CID 8724827
1-[2-(dimethylamino)ethyl]-3-[(1R)-1-phenylethyl]thiourea
CID 8656313
1,3-bis[(1R)-1-phenylethyl]thiourea
CID 11818469
1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea
CID 19583934
1-[(2-methoxyacetyl)amino]-3-[(1R)-1-phenylethyl]thiourea
CID 2207675
1-(2-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 17284156
1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea
CID 2970670
1-(1-phenylethyl)-3-propan-2-ylthiourea
CID 19649780
1-butyl-3-[(1R)-1-(4-phenylphenyl)ethyl]thiourea
CID 7943701
1-(1-phenylethyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675516
2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-N-(1-phenylethyl)benzamide
CID 55334460

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea (CID 19649785) is 1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea is COCCNC(=S)NC(C)c1ccccc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea?
The InChIKey is INZXYWULMMRFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-10(11-6-4-3-5-7-11)14-12(16)13-8-9-15-2/h3-7,10H,8-9H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea?
1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea has a molecular weight of 238.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(1-phenylethyl)thiourea is sourced from PubChem (CID 19649785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).