1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea

C15H22ClN3O2S — CID 8618840

IUPAC1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCOc1ccc(NC(=S)NCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C15H22ClN3O2S/c1-20-14-4-3-12(11-13(14)16)18-15(22)17-5-2-6-19-7-9-21-10-8-19/h3-4,11H,2,5-10H2,1H3,(H2,17,18,22)
InChIKeyNZBBGDIILGCPQV-UHFFFAOYSA-N
MW343.88 g/mol
LogP2.36
Rot. Bonds6

About 1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea

1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 8618840) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID8618840
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCOc1ccc(NC(=S)NCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C15H22ClN3O2S/c1-20-14-4-3-12(11-13(14)16)18-15(22)17-5-2-6-19-7-9-21-10-8-19/h3-4,11H,2,5-10H2,1H3,(H2,17,18,22)
InChIKeyNZBBGDIILGCPQV-UHFFFAOYSA-N
XLogP2.36
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea
CID 3593529
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8748306
1-(3-chloro-4-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thiourea
CID 100749481
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
1-(3-chloro-4-methoxyphenyl)-3-[3-(2-ethylpiperidin-1-yl)propyl]thiourea
CID 133154550
1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133907
1-(4-methylsulfanylphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8564807
N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185866
1-(3-anilinophenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8679916
1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 8660334
methyl 2-chloro-5-(3-piperidin-1-ylpropylcarbamothioylamino)benzoate
CID 100620923
1-(3-morpholin-4-ylpropyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 8615388

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea (CID 8618840) is 1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea is COc1ccc(NC(=S)NCCCN2CCOCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is NZBBGDIILGCPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2S/c1-20-14-4-3-12(11-13(14)16)18-15(22)17-5-2-6-19-7-9-21-10-8-19/h3-4,11H,2,5-10H2,1H3,(H2,17,18,22).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 343.88 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 8618840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).