1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea

C9H14N2OS2 — CID 2168467

IUPAC1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea
SMILESCOCCNC(=S)NCc1cccs1
InChIInChI=1S/C9H14N2OS2/c1-12-5-4-10-9(13)11-7-8-3-2-6-14-8/h2-3,6H,4-5,7H2,1H3,(H2,10,11,13)
InChIKeyOWQBQLTXCPGKTM-UHFFFAOYSA-N
MW230.36 g/mol
LogP1.36
Rot. Bonds5

About 1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea

1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea (PubChem CID 2168467) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea
PubChem CID2168467
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC Name1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea
SMILESCOCCNC(=S)NCc1cccs1
InChIInChI=1S/C9H14N2OS2/c1-12-5-4-10-9(13)11-7-8-3-2-6-14-8/h2-3,6H,4-5,7H2,1H3,(H2,10,11,13)
InChIKeyOWQBQLTXCPGKTM-UHFFFAOYSA-N
XLogP1.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-isopropyl-N'-(2-thienylmethyl)thiourea
CID 972147
N-(tetrahydro-2-furanylmethyl)-N'-(2-thienylmethyl)thiourea
CID 2956318
ethyl N-{[cyclopentyl(thien-2-ylmethyl)amino]carbonothioyl}glycinate
CID 3291314
1-Cyclohexyl-3-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)thiourea
CID 16195028
(2-Methoxyethyl)[(thiophen-2-yl)methyl]amine
CID 4719999
N-(3-Methoxypropyl)-N-(thien-2-ylmethyl)amine
CID 17206465
1,1-Dimethyl-3-(thiophen-2-ylmethyl)thiourea
CID 2732032
(3-Morpholin-4-yl-propyl)-thiophen-2-ylmethyl-amine
CID 2117475
5-(Thiophen-2-ylmethyl)-1,3,5-triazinane-2-thione
CID 2797820
ethyl N-(thiophen-2-ylmethylcarbamothioyl)carbamate
CID 2824600
3-Ethyl-1-methyl-1-[(thiophen-2-YL)methyl]urea
CID 53016484
1-((3-Methoxytetrahydrothiophen-3-yl)methyl)-3-(thiophen-2-ylmethyl)urea
CID 71804939

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea?
The IUPAC name of 1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea (CID 2168467) is 1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea is COCCNC(=S)NCc1cccs1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea?
The InChIKey is OWQBQLTXCPGKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-12-5-4-10-9(13)11-7-8-3-2-6-14-8/h2-3,6H,4-5,7H2,1H3,(H2,10,11,13).
What are the key properties of 1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea?
1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea has a molecular weight of 230.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)thiourea is sourced from PubChem (CID 2168467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).