1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea

C20H25N3O2S — CID 48628219

IUPAC1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea
SMILESCOc1ccc(NC(=S)NC(C)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H25N3O2S/c1-15(21-20(26)22-17-5-9-19(24-2)10-6-17)16-3-7-18(8-4-16)23-11-13-25-14-12-23/h3-10,15H,11-14H2,1-2H3,(H2,21,22,26)
InChIKeyFDKJRHVDTROLRS-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.58
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea

1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea (PubChem CID 48628219) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea
PubChem CID48628219
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea
SMILESCOc1ccc(NC(=S)NC(C)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H25N3O2S/c1-15(21-20(26)22-17-5-9-19(24-2)10-6-17)16-3-7-18(8-4-16)23-11-13-25-14-12-23/h3-10,15H,11-14H2,1-2H3,(H2,21,22,26)
InChIKeyFDKJRHVDTROLRS-UHFFFAOYSA-N
XLogP3.58
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-morpholin-4-ylphenyl)ethyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 133231041
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
1-(3-fluorophenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea
CID 133231017
2-(4-methoxyphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide
CID 48664298
1-(3,4-dimethoxyphenyl)-3-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 100725274
1-(4-methylphenyl)-3-[1-(4-piperidin-1-ylphenyl)ethyl]thiourea
CID 133154952
1-(4-methoxyphenyl)-3-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiourea
CID 8563489
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-(3-prop-2-enoxyphenyl)thiourea
CID 100764293
1-phenyl-3-[1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 133216188
1-(4-cyclopentyloxyphenyl)-3-[(1R)-1-(4-methoxyphenyl)ethyl]thiourea
CID 100643883
1-(4-ethylphenyl)-3-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 100725293
4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 46977488

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea (CID 48628219) is 1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea is COc1ccc(NC(=S)NC(C)c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea?
The InChIKey is FDKJRHVDTROLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15(21-20(26)22-17-5-9-19(24-2)10-6-17)16-3-7-18(8-4-16)23-11-13-25-14-12-23/h3-10,15H,11-14H2,1-2H3,(H2,21,22,26).
What are the key properties of 1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea?
1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea has a molecular weight of 371.51 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[1-(4-morpholin-4-ylphenyl)ethyl]thiourea is sourced from PubChem (CID 48628219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).