1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea

C16H18N2OS — CID 4612981

IUPAC1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea
SMILESCc1ccccc1N(CCO)C(=S)Nc1ccccc1
InChIInChI=1S/C16H18N2OS/c1-13-7-5-6-10-15(13)18(11-12-19)16(20)17-14-8-3-2-4-9-14/h2-10,19H,11-12H2,1H3,(H,17,20)
InChIKeyFZIYIIZRHMGVKK-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.19
Rot. Bonds4

About 1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea

1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea (PubChem CID 4612981) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea
PubChem CID4612981
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea
SMILESCc1ccccc1N(CCO)C(=S)Nc1ccccc1
InChIInChI=1S/C16H18N2OS/c1-13-7-5-6-10-15(13)18(11-12-19)16(20)17-14-8-3-2-4-9-14/h2-10,19H,11-12H2,1H3,(H,17,20)
InChIKeyFZIYIIZRHMGVKK-UHFFFAOYSA-N
XLogP3.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-1,3-diphenylthiourea
CID 838392
N-(2-hydroxyethyl)-N-(2-methylphenyl)benzamide
CID 91188754
1-(2-hydroxyethyl)-1-(2-methylphenyl)urea
CID 14685232
1-[2-(diethylamino)ethyl]-1,3-diphenylthiourea
CID 5140739
1,1-dibutyl-3-phenylthiourea
CID 3101699
1-ethyl-1-(3-methylphenyl)-3-phenylthiourea
CID 115577646
2-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylguanidine
CID 110925630
1-benzyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)thiourea
CID 7942645
N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
CID 63503025
1-[2-(2-methyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068572
1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-(2-methylphenyl)-3-(4-methylphenyl)thiourea
CID 139942617
1-(aminosulfanylmethyl)-1,3-diphenylthiourea
CID 90755015

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea?
The IUPAC name of 1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea (CID 4612981) is 1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea?
The canonical SMILES for 1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea is Cc1ccccc1N(CCO)C(=S)Nc1ccccc1.
What is the InChIKey of 1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea?
The InChIKey is FZIYIIZRHMGVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-13-7-5-6-10-15(13)18(11-12-19)16(20)17-14-8-3-2-4-9-14/h2-10,19H,11-12H2,1H3,(H,17,20).
What are the key properties of 1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea?
1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea has a molecular weight of 286.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea is sourced from PubChem (CID 4612981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).