4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine

C18H23N5OS — CID 138808844

IUPAC4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine
SMILESc1sc(N2CCOCC2)nc1-c1nnc2n1C1CC3CC(CC2C3)C1
InChIInChI=1S/C18H23N5OS/c1-3-24-4-2-22(1)18-19-15(10-25-18)17-21-20-16-13-6-11-5-12(7-13)9-14(8-11)23(16)17/h10-14H,1-9H2
InChIKeyAAGCLOIPRFAOQZ-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.09
Rot. Bonds2

About 4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine

4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine (PubChem CID 138808844) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine
PubChem CID138808844
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine
SMILESc1sc(N2CCOCC2)nc1-c1nnc2n1C1CC3CC(CC2C3)C1
InChIInChI=1S/C18H23N5OS/c1-3-24-4-2-22(1)18-19-15(10-25-18)17-21-20-16-13-6-11-5-12(7-13)9-14(8-11)23(16)17/h10-14H,1-9H2
InChIKeyAAGCLOIPRFAOQZ-UHFFFAOYSA-N
XLogP3.09
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine (CID 138808844) is 4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine is c1sc(N2CCOCC2)nc1-c1nnc2n1C1CC3CC(CC2C3)C1.
What is the InChIKey of 4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is AAGCLOIPRFAOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-3-24-4-2-22(1)18-19-15(10-25-18)17-21-20-16-13-6-11-5-12(7-13)9-14(8-11)23(16)17/h10-14H,1-9H2.
What are the key properties of 4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine?
4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 357.48 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 138808844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).