2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one

C15H15N3O2S — CID 24835527

IUPAC2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one
SMILESO=c1sc2ccccc2c2nc(CN3CCOCC3)[nH]c12
InChIInChI=1S/C15H15N3O2S/c19-15-14-13(10-3-1-2-4-11(10)21-15)16-12(17-14)9-18-5-7-20-8-6-18/h1-4H,5-9H2,(H,16,17)
InChIKeyGMCKDEKVDJPSCM-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.97
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one

2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one (PubChem CID 24835527) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one
PubChem CID24835527
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one
SMILESO=c1sc2ccccc2c2nc(CN3CCOCC3)[nH]c12
InChIInChI=1S/C15H15N3O2S/c19-15-14-13(10-3-1-2-4-11(10)21-15)16-12(17-14)9-18-5-7-20-8-6-18/h1-4H,5-9H2,(H,16,17)
InChIKeyGMCKDEKVDJPSCM-UHFFFAOYSA-N
XLogP1.97
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

13-(morpholin-4-ylmethyl)-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 136674639
2-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1,3-benzothiazin-4-one
CID 59750387
8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867926
3-(2-morpholin-4-ylethyl)-1,3-benzothiazine-2,4-dione
CID 3780799
2-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135809530
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
3-(morpholin-4-ylmethyl)-1-benzothiophene-2-carbohydrazide
CID 63570479
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
9-methyl-2-(morpholin-4-ylmethyl)-4H-[1,3]thiazolo[5,4-c]isoquinolin-5-one
CID 71287880
2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione
CID 4689928
[3-(1,4-oxazepan-4-ylmethyl)-1-benzothiophen-2-yl]methanamine
CID 55141926
3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one
CID 155565592

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one?
The IUPAC name of 2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one (CID 24835527) is 2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one is O=c1sc2ccccc2c2nc(CN3CCOCC3)[nH]c12.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one?
The InChIKey is GMCKDEKVDJPSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-15-14-13(10-3-1-2-4-11(10)21-15)16-12(17-14)9-18-5-7-20-8-6-18/h1-4H,5-9H2,(H,16,17).
What are the key properties of 2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one?
2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one has a molecular weight of 301.37 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 24835527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).