1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea

C20H25N3OS — CID 1252297

IUPAC1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea
SMILESS=C(NCCN1CCOCC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3OS/c25-20(21-11-12-23-13-15-24-16-14-23)22-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H2,21,22,25)
InChIKeyHEQBICCNIJADIR-UHFFFAOYSA-N
MW355.51 g/mol
LogP2.57
Rot. Bonds6

About 1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea

1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 1252297) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID1252297
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea
SMILESS=C(NCCN1CCOCC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25N3OS/c25-20(21-11-12-23-13-15-24-16-14-23)22-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H2,21,22,25)
InChIKeyHEQBICCNIJADIR-UHFFFAOYSA-N
XLogP2.57
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9216219
1-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 42939838
1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea
CID 2970670
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea
CID 7934135
1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea
CID 2907680
1-(2-morpholin-4-ylethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]thiourea
CID 43076858
N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]benzamide
CID 100963826
(2R)-N-(2-morpholin-4-ylethyl)-2-phenylpropan-1-amine
CID 28617584
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea (CID 1252297) is 1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea is S=C(NCCN1CCOCC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is HEQBICCNIJADIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c25-20(21-11-12-23-13-15-24-16-14-23)22-19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H2,21,22,25).
What are the key properties of 1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea?
1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 355.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 1252297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).