1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea

C21H27N3OS — CID 8530762

IUPAC1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=S)NCCc1ccccc1
InChIInChI=1S/C21H27N3OS/c1-23(21(26)22-12-11-18-5-3-2-4-6-18)17-19-7-9-20(10-8-19)24-13-15-25-16-14-24/h2-10H,11-17H2,1H3,(H,22,26)
InChIKeySUTIJSCBRAVVRG-UHFFFAOYSA-N
MW369.53 g/mol
LogP3.07
Rot. Bonds6

About 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea

1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea (PubChem CID 8530762) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea
PubChem CID8530762
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=S)NCCc1ccccc1
InChIInChI=1S/C21H27N3OS/c1-23(21(26)22-12-11-18-5-3-2-4-6-18)17-19-7-9-20(10-8-19)24-13-15-25-16-14-24/h2-10H,11-17H2,1H3,(H,22,26)
InChIKeySUTIJSCBRAVVRG-UHFFFAOYSA-N
XLogP3.07
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-1-methyl-3-(3-morpholin-4-ylpropyl)thiourea
CID 8656769
1-methyl-1-[(4-methylphenyl)methyl]-3-(2-phenylethyl)thiourea
CID 8770481
1-methyl-3-(2-methylphenyl)-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 8530780
3-(2-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 8530785
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 8530919
1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea
CID 110405022
1-ethyl-2-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134132
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 134013164
1-methyl-3-(2-phenylethyl)-1-(thiophen-3-ylmethyl)thiourea
CID 9284077
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide
CID 110405008

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea (CID 8530762) is 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea is CN(Cc1ccc(N2CCOCC2)cc1)C(=S)NCCc1ccccc1.
What is the InChIKey of 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea?
The InChIKey is SUTIJSCBRAVVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-23(21(26)22-12-11-18-5-3-2-4-6-18)17-19-7-9-20(10-8-19)24-13-15-25-16-14-24/h2-10H,11-17H2,1H3,(H,22,26).
What are the key properties of 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea?
1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea has a molecular weight of 369.53 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 8530762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).