1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea

C20H25N3OS — CID 4152907

IUPAC1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea
SMILESCCc1cccc(NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C20H25N3OS/c1-2-16-4-3-5-19(14-16)22-20(25)21-18-8-6-17(7-9-18)15-23-10-12-24-13-11-23/h3-9,14H,2,10-13,15H2,1H3,(H2,21,22,25)
InChIKeyLRJWEJICESHEQY-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.89
Rot. Bonds5

About 1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea

1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea (PubChem CID 4152907) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea
PubChem CID4152907
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea
SMILESCCc1cccc(NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1
InChIInChI=1S/C20H25N3OS/c1-2-16-4-3-5-19(14-16)22-20(25)21-18-8-6-17(7-9-18)15-23-10-12-24-13-11-23/h3-9,14H,2,10-13,15H2,1H3,(H2,21,22,25)
InChIKeyLRJWEJICESHEQY-UHFFFAOYSA-N
XLogP3.89
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.89
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

[3-(morpholin-4-ylmethyl)phenyl]thiourea
CID 97033783
1-(3,5-dimethylphenyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiourea
CID 8600037
2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 89193384
N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 979219
1-(3-ethylphenyl)-2-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]guanidine
CID 111053403
1-(3-ethylphenyl)-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111035328
N-butyl-3-(morpholin-4-ylmethyl)aniline
CID 174541370
2-chloro-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 3511089
4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 979170
2-(3,5-dimethylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide
CID 3515885
1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(4-propylphenyl)urea
CID 112838284
1-(3-ethylphenyl)-2-[(4-morpholin-4-ylphenyl)methyl]guanidine
CID 111063114

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea?
The IUPAC name of 1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea (CID 4152907) is 1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea.
What is the SMILES notation for 1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea?
The canonical SMILES for 1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea is CCc1cccc(NC(=S)Nc2ccc(CN3CCOCC3)cc2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea?
The InChIKey is LRJWEJICESHEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-2-16-4-3-5-19(14-16)22-20(25)21-18-8-6-17(7-9-18)15-23-10-12-24-13-11-23/h3-9,14H,2,10-13,15H2,1H3,(H2,21,22,25).
What are the key properties of 1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea?
1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea has a molecular weight of 355.51 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea is sourced from PubChem (CID 4152907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).