1-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea

C18H20ClN3OS — CID 3265475

IUPAC1-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea
SMILESS=C(Nc1ccc(CN2CCOCC2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClN3OS/c19-16-3-1-2-4-17(16)21-18(24)20-15-7-5-14(6-8-15)13-22-9-11-23-12-10-22/h1-8H,9-13H2,(H2,20,21,24)
InChIKeyCDGWWHHFQHTHEW-UHFFFAOYSA-N
MW361.90 g/mol
LogP3.98
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea

1-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea (PubChem CID 3265475) has the molecular formula C18H20ClN3OS and a molecular weight of 361.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea
PubChem CID3265475
Molecular FormulaC18H20ClN3OS
Molecular Weight361.90 g/mol
Exact Mass361.10
IUPAC Name1-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea
SMILESS=C(Nc1ccc(CN2CCOCC2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClN3OS/c19-16-3-1-2-4-17(16)21-18(24)20-15-7-5-14(6-8-15)13-22-9-11-23-12-10-22/h1-8H,9-13H2,(H2,20,21,24)
InChIKeyCDGWWHHFQHTHEW-UHFFFAOYSA-N
XLogP3.98
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea (CID 3265475) is 1-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea is S=C(Nc1ccc(CN2CCOCC2)cc1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea?
The InChIKey is CDGWWHHFQHTHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3OS/c19-16-3-1-2-4-17(16)21-18(24)20-15-7-5-14(6-8-15)13-22-9-11-23-12-10-22/h1-8H,9-13H2,(H2,20,21,24).
What are the key properties of 1-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea?
1-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea has a molecular weight of 361.90 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]thiourea is sourced from PubChem (CID 3265475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).