1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea

C16H24ClN3O3S — CID 8748306

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCOc1cc(OC)c(NC(=S)NCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C16H24ClN3O3S/c1-21-14-11-15(22-2)13(10-12(14)17)19-16(24)18-4-3-5-20-6-8-23-9-7-20/h10-11H,3-9H2,1-2H3,(H2,18,19,24)
InChIKeyFTLYECIUSPQBSJ-UHFFFAOYSA-N
MW373.91 g/mol
LogP2.37
Rot. Bonds7

About 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea

1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 8748306) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID8748306
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCOc1cc(OC)c(NC(=S)NCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C16H24ClN3O3S/c1-21-14-11-15(22-2)13(10-12(14)17)19-16(24)18-4-3-5-20-6-8-23-9-7-20/h10-11H,3-9H2,1-2H3,(H2,18,19,24)
InChIKeyFTLYECIUSPQBSJ-UHFFFAOYSA-N
XLogP2.37
TPSA54.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-morpholin-4-ylpropyl)thiourea
CID 8618840
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
1-(3-chloro-4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea
CID 3593529
2,5-dichloro-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 654841
ethane;methyl 4-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]butanoate
CID 143811364
1-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)thiourea
CID 100616341
1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-propoxybutyl)thiourea
CID 71589910
N-[2-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]ethyl]acetamide
CID 3846042
1-(3-morpholin-4-ylpropyl)-3-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 9411247
N'-(2-methoxy-5-nitrophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518532
N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241589
1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 115570403

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea (CID 8748306) is 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea is COc1cc(OC)c(NC(=S)NCCCN2CCOCC2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is FTLYECIUSPQBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3S/c1-21-14-11-15(22-2)13(10-12(14)17)19-16(24)18-4-3-5-20-6-8-23-9-7-20/h10-11H,3-9H2,1-2H3,(H2,18,19,24).
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea?
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 373.91 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 8748306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).