1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione

C18H23N5O2S — CID 14738824

IUPAC1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione
SMILESCOc1cc2ncnc(N3CCC(N4CCNC4=S)CC3)c2cc1OC
InChIInChI=1S/C18H23N5O2S/c1-24-15-9-13-14(10-16(15)25-2)20-11-21-17(13)22-6-3-12(4-7-22)23-8-5-19-18(23)26/h9-12H,3-8H2,1-2H3,(H,19,26)
InChIKeyLECPITFZNBDWLQ-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.81
Rot. Bonds4

About 1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione

1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione (PubChem CID 14738824) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione.

Molecular Properties

Compound Name1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione
PubChem CID14738824
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione
SMILESCOc1cc2ncnc(N3CCC(N4CCNC4=S)CC3)c2cc1OC
InChIInChI=1S/C18H23N5O2S/c1-24-15-9-13-14(10-16(15)25-2)20-11-21-17(13)22-6-3-12(4-7-22)23-8-5-19-18(23)26/h9-12H,3-8H2,1-2H3,(H,19,26)
InChIKeyLECPITFZNBDWLQ-UHFFFAOYSA-N
XLogP1.81
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one
CID 14668415
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
CID 165435774
5-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methylamino]-3H-1,3,4-thiadiazole-2-thione
CID 14903389
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 14668436
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
(2S)-2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]butan-1-amine
CID 155128602
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl-dimethoxyphosphane;ethane
CID 154673008
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethylphosphonous acid;ethane
CID 157041419
6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
CID 154575992

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione?
The IUPAC name of 1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione (CID 14738824) is 1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione.
What is the SMILES notation for 1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione?
The canonical SMILES for 1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione is COc1cc2ncnc(N3CCC(N4CCNC4=S)CC3)c2cc1OC.
What is the InChIKey of 1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione?
The InChIKey is LECPITFZNBDWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-24-15-9-13-14(10-16(15)25-2)20-11-21-17(13)22-6-3-12(4-7-22)23-8-5-19-18(23)26/h9-12H,3-8H2,1-2H3,(H,19,26).
What are the key properties of 1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione?
1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione has a molecular weight of 373.48 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione is sourced from PubChem (CID 14738824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).