2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

C16H21N5O2S — CID 126928855

IUPAC2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCOCc1nnc(N2CC(Cn3nc4c(cc3=O)CCCC4)C2)s1
InChIInChI=1S/C16H21N5O2S/c1-23-10-14-17-18-16(24-14)20-7-11(8-20)9-21-15(22)6-12-4-2-3-5-13(12)19-21/h6,11H,2-5,7-10H2,1H3
InChIKeyUXERRJIFUHEYJX-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.26
Rot. Bonds5

About 2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126928855) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126928855
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESCOCc1nnc(N2CC(Cn3nc4c(cc3=O)CCCC4)C2)s1
InChIInChI=1S/C16H21N5O2S/c1-23-10-14-17-18-16(24-14)20-7-11(8-20)9-21-15(22)6-12-4-2-3-5-13(12)19-21/h6,11H,2-5,7-10H2,1H3
InChIKeyUXERRJIFUHEYJX-UHFFFAOYSA-N
XLogP1.26
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[1-(4,5-dimethyl-1,3-thiazol-2-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928893
2-[[1-(1-methyl-6-oxopyridazin-3-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928901
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928592
2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928678
2-[[1-[6-(dimethylamino)pyrimidin-4-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928656
2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928177
2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928240
2-(methoxymethyl)-5-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 126911405
2-[[1-[6-(trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928260
2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928413
2-[[1-(2-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928866
2-[(1-benzylazetidin-3-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928895

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126928855) is 2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is COCc1nnc(N2CC(Cn3nc4c(cc3=O)CCCC4)C2)s1.
What is the InChIKey of 2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is UXERRJIFUHEYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-23-10-14-17-18-16(24-14)20-7-11(8-20)9-21-15(22)6-12-4-2-3-5-13(12)19-21/h6,11H,2-5,7-10H2,1H3.
What are the key properties of 2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 347.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126928855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).