1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea

C19H24N4OS — CID 1298848

IUPAC1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESS=C(NCCN1CCOCC1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H24N4OS/c25-19(20-10-11-23-12-14-24-15-13-23)22-18-8-6-17(7-9-18)21-16-4-2-1-3-5-16/h1-9,21H,10-15H2,(H2,20,22,25)
InChIKeyDEEDRLPJLVTLAB-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.05
Rot. Bonds6

About 1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea

1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 1298848) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID1298848
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESS=C(NCCN1CCOCC1)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H24N4OS/c25-19(20-10-11-23-12-14-24-15-13-23)22-18-8-6-17(7-9-18)21-16-4-2-1-3-5-16/h1-9,21H,10-15H2,(H2,20,22,25)
InChIKeyDEEDRLPJLVTLAB-UHFFFAOYSA-N
XLogP3.05
TPSA48.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea (CID 1298848) is 1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea is S=C(NCCN1CCOCC1)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is DEEDRLPJLVTLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c25-19(20-10-11-23-12-14-24-15-13-23)22-18-8-6-17(7-9-18)21-16-4-2-1-3-5-16/h1-9,21H,10-15H2,(H2,20,22,25).
What are the key properties of 1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea?
1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 356.50 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-anilinophenyl)-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 1298848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).