1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea

C18H23N5O2S2 — CID 8766554

IUPAC1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea
SMILESO=C(CSc1cccc2cccnc12)NNC(=S)NCCN1CCOCC1
InChIInChI=1S/C18H23N5O2S2/c24-16(13-27-15-5-1-3-14-4-2-6-19-17(14)15)21-22-18(26)20-7-8-23-9-11-25-12-10-23/h1-6H,7-13H2,(H,21,24)(H2,20,22,26)
InChIKeyXQLZLFVKABIMJA-UHFFFAOYSA-N
MW405.55 g/mol
LogP1.15
Rot. Bonds6

About 1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea

1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea (PubChem CID 8766554) has the molecular formula C18H23N5O2S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea
PubChem CID8766554
Molecular FormulaC18H23N5O2S2
Molecular Weight405.55 g/mol
Exact Mass405.13
IUPAC Name1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea
SMILESO=C(CSc1cccc2cccnc12)NNC(=S)NCCN1CCOCC1
InChIInChI=1S/C18H23N5O2S2/c24-16(13-27-15-5-1-3-14-4-2-6-19-17(14)15)21-22-18(26)20-7-8-23-9-11-25-12-10-23/h1-6H,7-13H2,(H,21,24)(H2,20,22,26)
InChIKeyXQLZLFVKABIMJA-UHFFFAOYSA-N
XLogP1.15
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
1-(2-morpholin-4-ylethyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 2974218
N-(2-morpholin-4-ylethyl)-1,6-naphthyridine-8-carboxamide
CID 91949050
N-(2-morpholin-4-ylethyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2634687
1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea
CID 1252297
1-[(3-hydroxybenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8766893
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 51155960
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241
6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 103875005
1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea
CID 2907680
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
1-(2-morpholin-4-ylethyl)-3-pyridin-3-ylthiourea
CID 18286603

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea (CID 8766554) is 1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea is O=C(CSc1cccc2cccnc12)NNC(=S)NCCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea?
The InChIKey is XQLZLFVKABIMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S2/c24-16(13-27-15-5-1-3-14-4-2-6-19-17(14)15)21-22-18(26)20-7-8-23-9-11-25-12-10-23/h1-6H,7-13H2,(H,21,24)(H2,20,22,26).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea?
1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea has a molecular weight of 405.55 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-[(2-quinolin-8-ylsulfanylacetyl)amino]thiourea is sourced from PubChem (CID 8766554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).