1-(2-hydroxyethyl)-1,3-diphenylthiourea

C15H16N2OS — CID 838392

IUPAC1-(2-hydroxyethyl)-1,3-diphenylthiourea
SMILESOCCN(C(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2OS/c18-12-11-17(14-9-5-2-6-10-14)15(19)16-13-7-3-1-4-8-13/h1-10,18H,11-12H2,(H,16,19)
InChIKeyJZEHPMQQOOBWJO-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.88
Rot. Bonds4

About 1-(2-hydroxyethyl)-1,3-diphenylthiourea

1-(2-hydroxyethyl)-1,3-diphenylthiourea (PubChem CID 838392) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1,3-diphenylthiourea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1,3-diphenylthiourea
PubChem CID838392
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(2-hydroxyethyl)-1,3-diphenylthiourea
SMILESOCCN(C(=S)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2OS/c18-12-11-17(14-9-5-2-6-10-14)15(19)16-13-7-3-1-4-8-13/h1-10,18H,11-12H2,(H,16,19)
InChIKeyJZEHPMQQOOBWJO-UHFFFAOYSA-N
XLogP2.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.88
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-(diethylamino)ethyl]-1,3-diphenylthiourea
CID 5140739
1-(2-hydroxyethyl)-1-(2-methylphenyl)-3-phenylthiourea
CID 4612981
1-(aminosulfanylmethyl)-1,3-diphenylthiourea
CID 90755015
1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea
CID 122416480
1-anilino-1,3-diphenylthiourea
CID 71327325
1-ethyl-1-(3-methylphenyl)-3-phenylthiourea
CID 115577646
N'-hydroxy-N-[4-[2-[N-(2-hydroxyethyl)anilino]-2-oxoethyl]phenyl]oxamide
CID 71523298
1-(dimethylamino)-1,3-diphenylthiourea
CID 174700414
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
1,1-dibutyl-3-phenylthiourea
CID 3101699
N-phenyl-N-(phenylcarbamothioyl)formamide
CID 110272511
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-1,3-diphenylthiourea?
The IUPAC name of 1-(2-hydroxyethyl)-1,3-diphenylthiourea (CID 838392) is 1-(2-hydroxyethyl)-1,3-diphenylthiourea.
What is the SMILES notation for 1-(2-hydroxyethyl)-1,3-diphenylthiourea?
The canonical SMILES for 1-(2-hydroxyethyl)-1,3-diphenylthiourea is OCCN(C(=S)Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-hydroxyethyl)-1,3-diphenylthiourea?
The InChIKey is JZEHPMQQOOBWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-12-11-17(14-9-5-2-6-10-14)15(19)16-13-7-3-1-4-8-13/h1-10,18H,11-12H2,(H,16,19).
What are the key properties of 1-(2-hydroxyethyl)-1,3-diphenylthiourea?
1-(2-hydroxyethyl)-1,3-diphenylthiourea has a molecular weight of 272.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1,3-diphenylthiourea is sourced from PubChem (CID 838392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).