2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C16H16N4O2S — CID 133354231

IUPAC2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccccc1C1CN(c2nn3c(=O)ccnc3s2)CCO1
InChIInChI=1S/C16H16N4O2S/c1-11-4-2-3-5-12(11)13-10-19(8-9-22-13)16-18-20-14(21)6-7-17-15(20)23-16/h2-7,13H,8-10H2,1H3
InChIKeyAXVVOJVOUQCTBB-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.04
Rot. Bonds2

About 2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133354231) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133354231
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccccc1C1CN(c2nn3c(=O)ccnc3s2)CCO1
InChIInChI=1S/C16H16N4O2S/c1-11-4-2-3-5-12(11)13-10-19(8-9-22-13)16-18-20-14(21)6-7-17-15(20)23-16/h2-7,13H,8-10H2,1H3
InChIKeyAXVVOJVOUQCTBB-UHFFFAOYSA-N
XLogP2.04
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013885
2-[2-(3-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 86884100
7-ethyl-2-(2-phenylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013710
7-ethyl-2-[2-(furan-2-yl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133347027
4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine
CID 133354201
7-ethyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 87013886
N-benzyl-4-[2-(2-methylphenyl)morpholin-4-yl]pyridine-2-carboxamide
CID 133354183
tert-butyl (2R)-2-methyl-4-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperazine-1-carboxylate
CID 133499607
2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133379346
2-(2-methylphenyl)-4-[1-(4-methylphenyl)tetrazol-5-yl]morpholine
CID 133354117
[4-(5-bromoimidazo[2,1-b][1,3,4]thiadiazol-2-yl)morpholin-2-yl]-phenylmethanone
CID 172552015
2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133279249

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133354231) is 2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1ccccc1C1CN(c2nn3c(=O)ccnc3s2)CCO1.
What is the InChIKey of 2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AXVVOJVOUQCTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-11-4-2-3-5-12(11)13-10-19(8-9-22-13)16-18-20-14(21)6-7-17-15(20)23-16/h2-7,13H,8-10H2,1H3.
What are the key properties of 2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 328.40 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)morpholin-4-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133354231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).