1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea

C15H23N3OS — CID 800645

IUPAC1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)thiourea
SMILESC1COCCN1CCNC(=S)NCCC2=CC=CC=C2
InChIInChI=1S/C15H23N3OS/c20-15(16-7-6-14-4-2-1-3-5-14)17-8-9-18-10-12-19-13-11-18/h1-5H,6-13H2,(H2,16,17,20)
InChIKeyRMQZHNCLVSUAMH-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.60
Rot. Bonds6

About 1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea

1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea (PubChem CID 800645) has the molecular formula C15H23N3OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea
PubChem CID800645
Molecular FormulaC15H23N3OS
Molecular Weight293.40 g/mol
Exact Mass293.16
IUPAC Name1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)thiourea
SMILESC1COCCN1CCNC(=S)NCCC2=CC=CC=C2
InChIInChI=1S/C15H23N3OS/c20-15(16-7-6-14-4-2-1-3-5-14)17-8-9-18-10-12-19-13-11-18/h1-5H,6-13H2,(H2,16,17,20)
InChIKeyRMQZHNCLVSUAMH-UHFFFAOYSA-N
XLogP1.60
TPSA68.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity276

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.60
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

N4-Phenethylmorpholine-4-carbothioamide
CID 2725328
N-(3-phenylpropyl)morpholine-4-carboxamide
CID 1973120
4-cyclohexyl-N-(2-phenylethyl)-1-piperazinecarbothioamide
CID 1247374
N-(2-methoxyethyl)-4-(3-phenyl-2-propen-1-yl)-1-piperazinecarbothioamide
CID 2170847
N-(Diphenylmethyl)-N-methyl-N'-[2-(4-morpholinyl)ethyl]thiourea
CID 3396611
5-Benzyl-1-(3-ethoxypropyl)-1,3,5-triazinane-2-thione
CID 1861041
5-Benzyl-1-(3-methoxypropyl)-1,3,5-triazinane-2-thione
CID 1865887
N,N-dibenzyl-N'-(3-morpholin-4-ylpropyl)thiourea
CID 4623334
2-(Morpholin-4-yl)-1-phenylethan-1-amine
CID 2814462
1-(3-Ethoxypropyl)-3-(2-phenylethyl)thiourea
CID 2171134
4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide
CID 2349995
1-(2-Phenylethyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea
CID 2918416

Frequently Asked Questions

What is the IUPAC name of 1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea (CID 800645) is 1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea is C1COCCN1CCNC(=S)NCCC2=CC=CC=C2.
What is the InChIKey of 1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea?
The InChIKey is RMQZHNCLVSUAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c20-15(16-7-6-14-4-2-1-3-5-14)17-8-9-18-10-12-19-13-11-18/h1-5H,6-13H2,(H2,16,17,20).
What are the key properties of 1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea?
1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea has a molecular weight of 293.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(Morpholin-4-yl)ethyl]-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 800645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).