(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone

C17H19N5O2S — CID 46961279

IUPAC(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1C2CCC1c1cnc(N3CCOCC3)nc1C2
InChIInChI=1S/C17H19N5O2S/c23-16(14-9-25-10-19-14)22-11-1-2-15(22)12-8-18-17(20-13(12)7-11)21-3-5-24-6-4-21/h8-11,15H,1-7H2
InChIKeyVICKPGIQKNCSKH-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.67
Rot. Bonds2

About (5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone

(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 46961279) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is (5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID46961279
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1C2CCC1c1cnc(N3CCOCC3)nc1C2
InChIInChI=1S/C17H19N5O2S/c23-16(14-9-25-10-19-14)22-11-1-2-15(22)12-8-18-17(20-13(12)7-11)21-3-5-24-6-4-21/h8-11,15H,1-7H2
InChIKeyVICKPGIQKNCSKH-UHFFFAOYSA-N
XLogP1.67
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone (CID 46961279) is (5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1C2CCC1c1cnc(N3CCOCC3)nc1C2.
What is the InChIKey of (5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is VICKPGIQKNCSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c23-16(14-9-25-10-19-14)22-11-1-2-15(22)12-8-18-17(20-13(12)7-11)21-3-5-24-6-4-21/h8-11,15H,1-7H2.
What are the key properties of (5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone?
(5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 357.44 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-morpholin-4-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 46961279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).