2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C18H21N5O3S — CID 133276353

IUPAC2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2sc(NCc3ccccc3OCCN3CCOCC3)nn12
InChIInChI=1S/C18H21N5O3S/c24-16-5-6-19-18-23(16)21-17(27-18)20-13-14-3-1-2-4-15(14)26-12-9-22-7-10-25-11-8-22/h1-6H,7-13H2,(H,20,21)
InChIKeyCMIIXACMPKCQRV-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.47
Rot. Bonds7

About 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133276353) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133276353
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1ccnc2sc(NCc3ccccc3OCCN3CCOCC3)nn12
InChIInChI=1S/C18H21N5O3S/c24-16-5-6-19-18-23(16)21-17(27-18)20-13-14-3-1-2-4-15(14)26-12-9-22-7-10-25-11-8-22/h1-6H,7-13H2,(H,20,21)
InChIKeyCMIIXACMPKCQRV-UHFFFAOYSA-N
XLogP1.47
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]thieno[3,2-b]pyridin-7-amine
CID 133359416
5-bromo-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pyridin-3-amine
CID 133359405
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953
(2S)-2-amino-4-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]pentanamide
CID 119865271
2-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]benzamide;dihydrochloride
CID 119946846
1-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119865229
N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]-2,3-dihydro-1H-imidazol-2-amine
CID 67704074
2-(4-aminophenyl)-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]acetamide;dihydrochloride
CID 119865216
2-[2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 107713272
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865260
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119865223
(2R,3S)-2-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 120940171

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133276353) is 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is O=c1ccnc2sc(NCc3ccccc3OCCN3CCOCC3)nn12.
What is the InChIKey of 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is CMIIXACMPKCQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c24-16-5-6-19-18-23(16)21-17(27-18)20-13-14-3-1-2-4-15(14)26-12-9-22-7-10-25-11-8-22/h1-6H,7-13H2,(H,20,21).
What are the key properties of 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 387.47 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-morpholin-4-ylethoxy)phenyl]methylamino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133276353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).