1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea

C12H18N2O2S — CID 12622951

IUPAC1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccc(C(C)NC(=S)NCCO)cc1
InChIInChI=1S/C12H18N2O2S/c1-9(14-12(17)13-7-8-15)10-3-5-11(16-2)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H2,13,14,17)
InChIKeyQQCGVHGTARSJQO-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.21
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea

1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea (PubChem CID 12622951) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea
PubChem CID12622951
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccc(C(C)NC(=S)NCCO)cc1
InChIInChI=1S/C12H18N2O2S/c1-9(14-12(17)13-7-8-15)10-3-5-11(16-2)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H2,13,14,17)
InChIKeyQQCGVHGTARSJQO-UHFFFAOYSA-N
XLogP1.21
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(4-methoxyphenyl)ethyl]thiourea
CID 19675863
1-[1-(4-ethoxyphenyl)ethyl]-3-(3-methoxypropyl)thiourea
CID 19583934
1-[1-(4-methoxyphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 19675841
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
1-ethyl-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 9218078
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
1-(2,6-difluorophenyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea
CID 127071372
2-[1-(4-methoxyphenyl)ethylamino]-4-methylpentan-1-ol
CID 61246097
1-[1-(4-ethylphenyl)ethyl]-3-propylthiourea
CID 19675086
N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510377
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
1-[3-(dimethylamino)propyl]-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea
CID 9216300

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea (CID 12622951) is 1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea is COc1ccc(C(C)NC(=S)NCCO)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea?
The InChIKey is QQCGVHGTARSJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(14-12(17)13-7-8-15)10-3-5-11(16-2)6-4-10/h3-6,9,15H,7-8H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea?
1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea has a molecular weight of 254.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)ethyl]thiourea is sourced from PubChem (CID 12622951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).