1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea

C14H22N2O2S — CID 102846832

IUPAC1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea
SMILESCOCCCNC(=S)Nc1ccccc1CCOC
InChIInChI=1S/C14H22N2O2S/c1-17-10-5-9-15-14(19)16-13-7-4-3-6-12(13)8-11-18-2/h3-4,6-7H,5,8-11H2,1-2H3,(H2,15,16,19)
InChIKeyGWCHRAYFAWZQOF-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.20
Rot. Bonds8

About 1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea

1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea (PubChem CID 102846832) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea
PubChem CID102846832
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea
SMILESCOCCCNC(=S)Nc1ccccc1CCOC
InChIInChI=1S/C14H22N2O2S/c1-17-10-5-9-15-14(19)16-13-7-4-3-6-12(13)8-11-18-2/h3-4,6-7H,5,8-11H2,1-2H3,(H2,15,16,19)
InChIKeyGWCHRAYFAWZQOF-UHFFFAOYSA-N
XLogP2.20
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.20
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

1-(2-methoxyethyl)-3-(2-propylphenyl)thiourea
CID 115579636
1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea
CID 19711809
1-benzyl-3-(3-methoxypropyl)thiourea
CID 19649292
1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
CID 2253001
1-(3-methoxypropyl)-3-pyrimidin-2-ylthiourea
CID 94830952
N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide
CID 102903270
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
1-(2-ethylphenyl)-3-nonylthiourea
CID 19651096
3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid
CID 102907015
3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide
CID 102905725
1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea
CID 17322071
3-[2-(2-methoxyethyl)anilino]propan-1-ol
CID 102847222

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea?
The IUPAC name of 1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea (CID 102846832) is 1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea.
What is the SMILES notation for 1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea?
The canonical SMILES for 1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea is COCCCNC(=S)Nc1ccccc1CCOC.
What is the InChIKey of 1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea?
The InChIKey is GWCHRAYFAWZQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-17-10-5-9-15-14(19)16-13-7-4-3-6-12(13)8-11-18-2/h3-4,6-7H,5,8-11H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea?
1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea has a molecular weight of 282.41 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea is sourced from PubChem (CID 102846832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).