3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea

C16H25N3OS — CID 5173804

IUPAC3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea
SMILESCC(C)N(C(=S)NCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C16H25N3OS/c1-14(2)19(15-6-4-3-5-7-15)16(21)17-8-9-18-10-12-20-13-11-18/h3-7,14H,8-13H2,1-2H3,(H,17,21)
InChIKeyGTPNAJACAXIYSB-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.11
Rot. Bonds5

About 3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea

3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea (PubChem CID 5173804) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea
PubChem CID5173804
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea
SMILESCC(C)N(C(=S)NCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C16H25N3OS/c1-14(2)19(15-6-4-3-5-7-15)16(21)17-8-9-18-10-12-20-13-11-18/h3-7,14H,8-13H2,1-2H3,(H,17,21)
InChIKeyGTPNAJACAXIYSB-UHFFFAOYSA-N
XLogP2.11
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl] benzenecarbodithioate
CID 87805860
3-(2-methoxyethyl)-1-phenyl-1-propan-2-ylthiourea
CID 5176938
N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide
CID 108944050
1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea
CID 1252297
1-benzyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea
CID 8656769
1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea
CID 7934135
3-(4-morpholin-4-ylsulfonylphenyl)-1-phenyl-1-propan-2-ylthiourea
CID 2421734
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
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)guanidine
CID 111022923
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea (CID 5173804) is 3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea is CC(C)N(C(=S)NCCN1CCOCC1)c1ccccc1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea?
The InChIKey is GTPNAJACAXIYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-14(2)19(15-6-4-3-5-7-15)16(21)17-8-9-18-10-12-20-13-11-18/h3-7,14H,8-13H2,1-2H3,(H,17,21).
What are the key properties of 3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea?
3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea has a molecular weight of 307.46 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-1-phenyl-1-propan-2-ylthiourea is sourced from PubChem (CID 5173804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).