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

C10H15N3OS — CID 5296396

IUPAC1-anilino-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NNc1ccccc1
InChIInChI=1S/C10H15N3OS/c1-14-8-7-11-10(15)13-12-9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H2,11,13,15)
InChIKeyWDCHNCIMCWOTTK-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.12
Rot. Bonds5

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

1-anilino-3-(2-methoxyethyl)thiourea (PubChem CID 5296396) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-anilino-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-anilino-3-(2-methoxyethyl)thiourea
PubChem CID5296396
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-anilino-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NNc1ccccc1
InChIInChI=1S/C10H15N3OS/c1-14-8-7-11-10(15)13-12-9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H2,11,13,15)
InChIKeyWDCHNCIMCWOTTK-UHFFFAOYSA-N
XLogP1.12
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N1-ethyl-2-phenylhydrazine-1-carbothioamide
CID 2731067
4-Cyclohexyl-1-phenyl-3-thiosemicarbazide
CID 674716
1-(2-methoxyethyl)-3-(N-phenylanilino)thiourea
CID 2388700
1-(3-Methoxypropyl)-3-(phenylcarbamothioylamino)thiourea
CID 2803658
N-Methyl-2-phenylhydrazinecarbothioamide
CID 4405145
1-(2-Methoxyethyl)-3-(2-nitroanilino)thiourea
CID 4664866
Semicarbazide, 4-allyl-1-phenyl-3-thio-
CID 3034516
1-(2-Methoxyethyl)-3-phenylthiourea
CID 2135506
1-Anilino-3-(ethylcarbamothioylamino)thiourea
CID 4546172
1-Anilino-1,3-dihydro-2H-imidazole-2-thione
CID 14922140
3-anilino-4-methyl-1H-imidazole-2-thione
CID 14922142
3-anilino-4-ethyl-1H-imidazole-2-thione
CID 14922143

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-anilino-3-(2-methoxyethyl)thiourea (CID 5296396) is 1-anilino-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-anilino-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-anilino-3-(2-methoxyethyl)thiourea is COCCNC(=S)NNc1ccccc1.
What is the InChIKey of 1-anilino-3-(2-methoxyethyl)thiourea?
The InChIKey is WDCHNCIMCWOTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-14-8-7-11-10(15)13-12-9-5-3-2-4-6-9/h2-6,12H,7-8H2,1H3,(H2,11,13,15).
What are the key properties of 1-anilino-3-(2-methoxyethyl)thiourea?
1-anilino-3-(2-methoxyethyl)thiourea has a molecular weight of 225.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 5296396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).