1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea

C18H20ClN3OS — CID 94494667

IUPAC1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
SMILESS=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClN3OS/c19-16-3-1-2-4-17(16)21-18(24)20-13-14-5-7-15(8-6-14)22-9-11-23-12-10-22/h1-8H,9-13H2,(H2,20,21,24)
InChIKeyZJSJAZACEMLTPU-UHFFFAOYSA-N
MW361.90 g/mol
LogP3.66
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea

1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea (PubChem CID 94494667) 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-ylphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
PubChem CID94494667
Molecular FormulaC18H20ClN3OS
Molecular Weight361.90 g/mol
Exact Mass361.10
IUPAC Name1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
SMILESS=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C18H20ClN3OS/c19-16-3-1-2-4-17(16)21-18(24)20-13-14-5-7-15(8-6-14)22-9-11-23-12-10-22/h1-8H,9-13H2,(H2,20,21,24)
InChIKeyZJSJAZACEMLTPU-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-chlorophenyl)-3-[[4-[(3S)-3-methylpiperidin-1-yl]phenyl]methyl]thiourea
CID 100723624
1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 2444446
1-(4-bromo-2-fluorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 100625305
1-(5-methyl-2-pyridinyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea
CID 100625898
N'-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891703
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649990
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-N'-(2-chlorophenyl)oxamide
CID 16891452
2-(2-chlorophenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53282971
N'-(3-chloro-2-methylphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891698
N-(2-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide
CID 17372751
N-benzyl-3-chloro-2-morpholin-4-ylaniline
CID 91674334

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea (CID 94494667) is 1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea is S=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea?
The InChIKey is ZJSJAZACEMLTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3OS/c19-16-3-1-2-4-17(16)21-18(24)20-13-14-5-7-15(8-6-14)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-ylphenyl)methyl]thiourea?
1-(2-chlorophenyl)-3-[(4-morpholin-4-ylphenyl)methyl]thiourea has a molecular weight of 361.90 g/mol, XLogP of 3.66, 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-ylphenyl)methyl]thiourea is sourced from PubChem (CID 94494667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).