1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea

C20H25N3O4S — CID 17272352

IUPAC1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
SMILESCOc1cc(NC(=S)Nc2ccccc2N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O4S/c1-24-17-12-14(13-18(25-2)19(17)26-3)21-20(28)22-15-6-4-5-7-16(15)23-8-10-27-11-9-23/h4-7,12-13H,8-11H2,1-3H3,(H2,21,22,28)
InChIKeyKXNHAHZOVNDGFX-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.36
Rot. Bonds6

About 1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea

1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea (PubChem CID 17272352) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
PubChem CID17272352
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
SMILESCOc1cc(NC(=S)Nc2ccccc2N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O4S/c1-24-17-12-14(13-18(25-2)19(17)26-3)21-20(28)22-15-6-4-5-7-16(15)23-8-10-27-11-9-23/h4-7,12-13H,8-11H2,1-3H3,(H2,21,22,28)
InChIKeyKXNHAHZOVNDGFX-UHFFFAOYSA-N
XLogP3.36
TPSA64.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7922277
5-bromo-2-methoxy-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1290230
N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 21215408
2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631
1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108869153
2-(5-chloro-2-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 99144350
2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 17426993
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527534
2-amino-N-(2-morpholin-4-ylphenyl)propanethioamide
CID 88902286
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
3,4,5-trimethoxy-N-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]carbamothioyl]benzamide
CID 57326208
4-iodo-N-[(2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 1017014

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea?
The IUPAC name of 1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea (CID 17272352) is 1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea.
What is the SMILES notation for 1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea?
The canonical SMILES for 1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea is COc1cc(NC(=S)Nc2ccccc2N2CCOCC2)cc(OC)c1OC.
What is the InChIKey of 1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea?
The InChIKey is KXNHAHZOVNDGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-24-17-12-14(13-18(25-2)19(17)26-3)21-20(28)22-15-6-4-5-7-16(15)23-8-10-27-11-9-23/h4-7,12-13H,8-11H2,1-3H3,(H2,21,22,28).
What are the key properties of 1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea?
1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea has a molecular weight of 403.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea is sourced from PubChem (CID 17272352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).