ethane;N-(furan-2-ylmethyl)-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine

C17H20N4OS — CID 144555929

IUPACethane;N-(furan-2-ylmethyl)-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
SMILESCC.Cc1ccc2c(n1)sc1c(NCc3ccco3)nn(C)c12
InChIInChI=1S/C15H14N4OS.C2H6/c1-9-5-6-11-12-13(21-15(11)17-9)14(18-19(12)2)16-8-10-4-3-7-20-10;1-2/h3-7H,8H2,1-2H3,(H,16,18);1-2H3
InChIKeyLVGGMGYVJIERER-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.72
Rot. Bonds3

About ethane;N-(furan-2-ylmethyl)-3,10-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)-3,10-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 144555929) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is ethane;N-(furan-2-ylmethyl)-3,10-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)-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
PubChem CID144555929
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Nameethane;N-(furan-2-ylmethyl)-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
SMILESCC.Cc1ccc2c(n1)sc1c(NCc3ccco3)nn(C)c12
InChIInChI=1S/C15H14N4OS.C2H6/c1-9-5-6-11-12-13(21-15(11)17-9)14(18-19(12)2)16-8-10-4-3-7-20-10;1-2/h3-7H,8H2,1-2H3,(H,16,18);1-2H3
InChIKeyLVGGMGYVJIERER-UHFFFAOYSA-N
XLogP4.72
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;N-(furan-2-ylmethyl)-3,10-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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)-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
N-(furan-2-ylmethyl)-4-isopropyl-9-(methylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-amine
CID 2029890
4-[5-[(3,5-Dimethylpyrazol-1-yl)methyl]furan-2-yl]-11-methyl-13-(trifluoromethyl)-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 19498070

Frequently Asked Questions

What is the IUPAC name of ethane;N-(furan-2-ylmethyl)-3,10-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)-3,10-dimethyl-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine (CID 144555929) is ethane;N-(furan-2-ylmethyl)-3,10-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)-3,10-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)-3,10-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.Cc1ccc2c(n1)sc1c(NCc3ccco3)nn(C)c12.
What is the InChIKey of ethane;N-(furan-2-ylmethyl)-3,10-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 LVGGMGYVJIERER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS.C2H6/c1-9-5-6-11-12-13(21-15(11)17-9)14(18-19(12)2)16-8-10-4-3-7-20-10;1-2/h3-7H,8H2,1-2H3,(H,16,18);1-2H3.
What are the key properties of ethane;N-(furan-2-ylmethyl)-3,10-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)-3,10-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 328.44 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(furan-2-ylmethyl)-3,10-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 144555929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).