ethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol

C19H24N4O2S — CID 144555867

IUPACethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol
SMILESCC.Cc1cc(C)c2c(n1)sc1c(NCc3ccco3)nn(CCO)c12
InChIInChI=1S/C17H18N4O2S.C2H6/c1-10-8-11(2)19-17-13(10)14-15(24-17)16(20-21(14)5-6-22)18-9-12-4-3-7-23-12;1-2/h3-4,7-8,22H,5-6,9H2,1-2H3,(H,18,20);1-2H3
InChIKeyWIJJBJGGRQWLPI-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.49
Rot. Bonds5

About ethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol

ethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol (PubChem CID 144555867) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is ethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol.

Molecular Properties

Compound Nameethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol
PubChem CID144555867
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Nameethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol
SMILESCC.Cc1cc(C)c2c(n1)sc1c(NCc3ccco3)nn(CCO)c12
InChIInChI=1S/C17H18N4O2S.C2H6/c1-10-8-11(2)19-17-13(10)14-15(24-17)16(20-21(14)5-6-22)18-9-12-4-3-7-23-12;1-2/h3-4,7-8,22H,5-6,9H2,1-2H3,(H,18,20);1-2H3
InChIKeyWIJJBJGGRQWLPI-UHFFFAOYSA-N
XLogP4.49
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-3,11,12-trimethyl-7-thia-3,4,9,10-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
CID 87057213
11-chloro-N-(furan-2-ylmethyl)-3,10,12-trimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),4,8,10-pentaen-5-amine
CID 89452242
N-(furan-2-ylmethyl)-4,4-dimethyl-8-morpholin-4-yl-5,11-dithia-9,14,15,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 660344
N-(furan-2-ylmethyl)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
CID 89452686
N-(furan-2-ylmethyl)-5-morpholino-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
CID 4328683
N-[(Furan-2-YL)methyl]-1-[3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-D][1,3]thiazol-5-YL]piperidine-3-carboxamide
CID 53123062
2-(2-Furyl)-7-methyl-9-(trifluoromethyl)pyrido[3',2':4,5]thieno[2,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 50754395
2-((2-(Furan-2-yl)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino)ethanol
CID 39336833
2-((9-Ethyl-2-(furan-2-yl)-8-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino)ethanol
CID 39337993
2-((9-Ethyl-2-(furan-2-yl)-8-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino)butan-1-ol
CID 42654087
1-((2-(Furan-2-yl)-8,9-dimethylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino)propan-2-ol
CID 42654270
1-((9-Ethyl-2-(furan-2-yl)-8-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino)propan-2-ol
CID 42654646

Frequently Asked Questions

What is the IUPAC name of ethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol?
The IUPAC name of ethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol (CID 144555867) is ethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol.
What is the SMILES notation for ethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol?
The canonical SMILES for ethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol is CC.Cc1cc(C)c2c(n1)sc1c(NCc3ccco3)nn(CCO)c12.
What is the InChIKey of ethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol?
The InChIKey is WIJJBJGGRQWLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S.C2H6/c1-10-8-11(2)19-17-13(10)14-15(24-17)16(20-21(14)5-6-22)18-9-12-4-3-7-23-12;1-2/h3-4,7-8,22H,5-6,9H2,1-2H3,(H,18,20);1-2H3.
What are the key properties of ethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol?
ethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol has a molecular weight of 372.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[5-(furan-2-ylmethylamino)-10,12-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-3-yl]ethanol is sourced from PubChem (CID 144555867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).