ethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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

C20H26N4O2S — CID 144555922

IUPACethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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
SMILESCC.COCCn1nc(NCc2ccco2)c2sc3nc(C)cc(C)c3c21
InChIInChI=1S/C18H20N4O2S.C2H6/c1-11-9-12(2)20-18-14(11)15-16(25-18)17(21-22(15)6-8-23-3)19-10-13-5-4-7-24-13;1-2/h4-5,7,9H,6,8,10H2,1-3H3,(H,19,21);1-2H3
InChIKeyJPKPVKGCNKEMSA-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.14
Rot. Bonds6

About ethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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

ethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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 (PubChem CID 144555922) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is ethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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.

Molecular Properties

Compound Nameethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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
PubChem CID144555922
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Nameethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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
SMILESCC.COCCn1nc(NCc2ccco2)c2sc3nc(C)cc(C)c3c21
InChIInChI=1S/C18H20N4O2S.C2H6/c1-11-9-12(2)20-18-14(11)15-16(25-18)17(21-22(15)6-8-23-3)19-10-13-5-4-7-24-13;1-2/h4-5,7,9H,6,8,10H2,1-3H3,(H,19,21);1-2H3
InChIKeyJPKPVKGCNKEMSA-UHFFFAOYSA-N
XLogP5.14
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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 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)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 665047
N-(furan-2-ylmethyl)-10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 665391
N-(furan-2-ylmethyl)-11-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 665675
N-(furan-2-ylmethyl)-4-propyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
CID 2005500
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-ylmethyl)-4-isopropyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
CID 2025919
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
N-(furan-2-ylmethyl)-4-(2-methylpropyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
CID 1854835

Frequently Asked Questions

What is the IUPAC name of ethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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?
The IUPAC name of ethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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 144555922) is ethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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.
What is the SMILES notation for ethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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?
The canonical SMILES for ethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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 is CC.COCCn1nc(NCc2ccco2)c2sc3nc(C)cc(C)c3c21.
What is the InChIKey of ethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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?
The InChIKey is JPKPVKGCNKEMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S.C2H6/c1-11-9-12(2)20-18-14(11)15-16(25-18)17(21-22(15)6-8-23-3)19-10-13-5-4-7-24-13;1-2/h4-5,7,9H,6,8,10H2,1-3H3,(H,19,21);1-2H3.
What are the key properties of ethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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?
ethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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 has a molecular weight of 386.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(furan-2-ylmethyl)-3-(2-methoxyethyl)-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 is sourced from PubChem (CID 144555922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).