2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol

C15H15N5O2S — CID 39336833

IUPAC2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol
SMILESCc1sc2nc(NCCO)n3nc(-c4ccco4)nc3c2c1C
InChIInChI=1S/C15H15N5O2S/c1-8-9(2)23-14-11(8)13-17-12(10-4-3-7-22-10)19-20(13)15(18-14)16-5-6-21/h3-4,7,21H,5-6H2,1-2H3,(H,16,18)
InChIKeyIUIVFBSDVUOPFE-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.62
Rot. Bonds4

About 2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol

2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol (PubChem CID 39336833) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol
PubChem CID39336833
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol
SMILESCc1sc2nc(NCCO)n3nc(-c4ccco4)nc3c2c1C
InChIInChI=1S/C15H15N5O2S/c1-8-9(2)23-14-11(8)13-17-12(10-4-3-7-22-10)19-20(13)15(18-14)16-5-6-21/h3-4,7,21H,5-6H2,1-2H3,(H,16,18)
InChIKeyIUIVFBSDVUOPFE-UHFFFAOYSA-N
XLogP2.62
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol?
The IUPAC name of 2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol (CID 39336833) is 2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol is Cc1sc2nc(NCCO)n3nc(-c4ccco4)nc3c2c1C.
What is the InChIKey of 2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol?
The InChIKey is IUIVFBSDVUOPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-8-9(2)23-14-11(8)13-17-12(10-4-3-7-22-10)19-20(13)15(18-14)16-5-6-21/h3-4,7,21H,5-6H2,1-2H3,(H,16,18).
What are the key properties of 2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol?
2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol has a molecular weight of 329.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(furan-2-yl)-11,12-dimethyl-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-yl]amino]ethanol is sourced from PubChem (CID 39336833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).