4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine

C23H23N7OS2 — CID 55600281

IUPAC4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
SMILESc1cncc(-c2nnc3n2C(CSc2nc(CN4CCOCC4)nc4ccccc24)CS3)c1
InChIInChI=1S/C23H23N7OS2/c1-2-6-19-18(5-1)22(26-20(25-19)13-29-8-10-31-11-9-29)32-14-17-15-33-23-28-27-21(30(17)23)16-4-3-7-24-12-16/h1-7,12,17H,8-11,13-15H2
InChIKeyCQLWHRSDGGIBCB-UHFFFAOYSA-N
MW477.62 g/mol
LogP3.55
Rot. Bonds6

About 4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine

4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine (PubChem CID 55600281) has the molecular formula C23H23N7OS2 and a molecular weight of 477.62 g/mol. Its IUPAC name is 4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
PubChem CID55600281
Molecular FormulaC23H23N7OS2
Molecular Weight477.62 g/mol
Exact Mass477.14
IUPAC Name4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
SMILESc1cncc(-c2nnc3n2C(CSc2nc(CN4CCOCC4)nc4ccccc24)CS3)c1
InChIInChI=1S/C23H23N7OS2/c1-2-6-19-18(5-1)22(26-20(25-19)13-29-8-10-31-11-9-29)32-14-17-15-33-23-28-27-21(30(17)23)16-4-3-7-24-12-16/h1-7,12,17H,8-11,13-15H2
InChIKeyCQLWHRSDGGIBCB-UHFFFAOYSA-N
XLogP3.55
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.62
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine (CID 55600281) is 4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine is c1cncc(-c2nnc3n2C(CSc2nc(CN4CCOCC4)nc4ccccc24)CS3)c1.
What is the InChIKey of 4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
The InChIKey is CQLWHRSDGGIBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7OS2/c1-2-6-19-18(5-1)22(26-20(25-19)13-29-8-10-31-11-9-29)32-14-17-15-33-23-28-27-21(30(17)23)16-4-3-7-24-12-16/h1-7,12,17H,8-11,13-15H2.
What are the key properties of 4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine has a molecular weight of 477.62 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine is sourced from PubChem (CID 55600281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).