2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

C19H25N5O3S — CID 46378790

IUPAC2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESO=C(C1CCN(c2nn3c(=O)c4c(nc3s2)CCCC4)CC1)N1CCOCC1
InChIInChI=1S/C19H25N5O3S/c25-16(22-9-11-27-12-10-22)13-5-7-23(8-6-13)19-21-24-17(26)14-3-1-2-4-15(14)20-18(24)28-19/h13H,1-12H2
InChIKeyDZQWLWUSNMDFNA-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.11
Rot. Bonds2

About 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (PubChem CID 46378790) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
PubChem CID46378790
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
SMILESO=C(C1CCN(c2nn3c(=O)c4c(nc3s2)CCCC4)CC1)N1CCOCC1
InChIInChI=1S/C19H25N5O3S/c25-16(22-9-11-27-12-10-22)13-5-7-23(8-6-13)19-21-24-17(26)14-3-1-2-4-15(14)20-18(24)28-19/h13H,1-12H2
InChIKeyDZQWLWUSNMDFNA-UHFFFAOYSA-N
XLogP1.11
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one (CID 46378790) is 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is O=C(C1CCN(c2nn3c(=O)c4c(nc3s2)CCCC4)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
The InChIKey is DZQWLWUSNMDFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c25-16(22-9-11-27-12-10-22)13-5-7-23(8-6-13)19-21-24-17(26)14-3-1-2-4-15(14)20-18(24)28-19/h13H,1-12H2.
What are the key properties of 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one?
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one has a molecular weight of 403.51 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 46378790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).