6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C21H24N6O4S — CID 20942741

IUPAC6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cccc(N2CCN(C(=O)c3cnc4sc(N5CCOCC5)nn4c3=O)CC2)c1
InChIInChI=1S/C21H24N6O4S/c1-30-16-4-2-3-15(13-16)24-5-7-25(8-6-24)18(28)17-14-22-20-27(19(17)29)23-21(32-20)26-9-11-31-12-10-26/h2-4,13-14H,5-12H2,1H3
InChIKeyHRGADPNAUGEXTD-UHFFFAOYSA-N
MW456.53 g/mol
LogP0.96
Rot. Bonds4

About 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20942741) has the molecular formula C21H24N6O4S and a molecular weight of 456.53 g/mol. Its IUPAC name is 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID20942741
Molecular FormulaC21H24N6O4S
Molecular Weight456.53 g/mol
Exact Mass456.16
IUPAC Name6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cccc(N2CCN(C(=O)c3cnc4sc(N5CCOCC5)nn4c3=O)CC2)c1
InChIInChI=1S/C21H24N6O4S/c1-30-16-4-2-3-15(13-16)24-5-7-25(8-6-24)18(28)17-14-22-20-27(19(17)29)23-21(32-20)26-9-11-31-12-10-26/h2-4,13-14H,5-12H2,1H3
InChIKeyHRGADPNAUGEXTD-UHFFFAOYSA-N
XLogP0.96
TPSA92.51 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 20942741) is 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is COc1cccc(N2CCN(C(=O)c3cnc4sc(N5CCOCC5)nn4c3=O)CC2)c1.
What is the InChIKey of 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HRGADPNAUGEXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4S/c1-30-16-4-2-3-15(13-16)24-5-7-25(8-6-24)18(28)17-14-22-20-27(19(17)29)23-21(32-20)26-9-11-31-12-10-26/h2-4,13-14H,5-12H2,1H3.
What are the key properties of 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 456.53 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-morpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20942741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).