6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane

C33H40ArN8O3S4 — CID 157344241

IUPAC6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane
SMILESC.C.CC.CON1Cc2nc3sc(C(N)=O)c(N)c3c(-c3cccs3)c2C1.NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CNC3.[Ar]
InChIInChI=1S/C15H14N4O2S2.C14H12N4OS2.C2H6.2CH4.Ar/c1-21-19-5-7-8(6-19)18-15-11(10(7)9-3-2-4-22-9)12(16)13(23-15)14(17)20;15-11-10-9(8-2-1-3-20-8)6-4-17-5-7(6)18-14(10)21-12(11)13(16)19;1-2;;;/h2-4H,5-6,16H2,1H3,(H2,17,20);1-3,17H,4-5,15H2,(H2,16,19);1-2H3;2*1H4;
InChIKeyBGTNMWZEPDYSON-UHFFFAOYSA-N
MW764.95 g/mol
LogP7.19
Rot. Bonds5

About 6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane

6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane (PubChem CID 157344241) has the molecular formula C33H40ArN8O3S4 and a molecular weight of 764.95 g/mol. Its IUPAC name is 6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane.

Molecular Properties

Compound Name6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane
PubChem CID157344241
Molecular FormulaC33H40ArN8O3S4
Molecular Weight764.95 g/mol
Exact Mass764.17
IUPAC Name6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane
SMILESC.C.CC.CON1Cc2nc3sc(C(N)=O)c(N)c3c(-c3cccs3)c2C1.NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CNC3.[Ar]
InChIInChI=1S/C15H14N4O2S2.C14H12N4OS2.C2H6.2CH4.Ar/c1-21-19-5-7-8(6-19)18-15-11(10(7)9-3-2-4-22-9)12(16)13(23-15)14(17)20;15-11-10-9(8-2-1-3-20-8)6-4-17-5-7(6)18-14(10)21-12(11)13(16)19;1-2;;;/h2-4H,5-6,16H2,1H3,(H2,17,20);1-3,17H,4-5,15H2,(H2,16,19);1-2H3;2*1H4;
InChIKeyBGTNMWZEPDYSON-UHFFFAOYSA-N
XLogP7.19
TPSA188.50 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500764.95
LogP ≤ 57.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane with MolForge

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Related Compounds

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CID 1089897
3-amino-N-propan-2-yl-4,6-dithiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1772756
3-amino-N,N-diethyl-4,6-di(thiophen-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 658221
3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 912945
3-amino-4-phenyl-N-propyl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 90051611
3-amino-N-piperidin-4-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 145956718
3-amino-N-methyl-N-piperidin-4-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 145958983
6-Amino-11-[(3-fluorophenyl)methyl]-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 25205787
2,6-Bis(3-amino-2-carboxamido-4-(2-thienyl)thieno[2,3-b]pyridin-6-yl)pyridine
CID 129706180
3-amino-N-methyl-N-piperidin-4-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 145946583
3-amino-N-piperidin-4-yl-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 145947267
2-[(4-Methyl-1-piperazinyl)carbonyl]-6-(2-thienyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
CID 171985495

Frequently Asked Questions

What is the IUPAC name of 6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane?
The IUPAC name of 6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane (CID 157344241) is 6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane.
What is the SMILES notation for 6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane?
The canonical SMILES for 6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane is C.C.CC.CON1Cc2nc3sc(C(N)=O)c(N)c3c(-c3cccs3)c2C1.NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CNC3.[Ar].
What is the InChIKey of 6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane?
The InChIKey is BGTNMWZEPDYSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2.C14H12N4OS2.C2H6.2CH4.Ar/c1-21-19-5-7-8(6-19)18-15-11(10(7)9-3-2-4-22-9)12(16)13(23-15)14(17)20;15-11-10-9(8-2-1-3-20-8)6-4-17-5-7(6)18-14(10)21-12(11)13(16)19;1-2;;;/h2-4H,5-6,16H2,1H3,(H2,17,20);1-3,17H,4-5,15H2,(H2,16,19);1-2H3;2*1H4;.
What are the key properties of 6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane?
6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane has a molecular weight of 764.95 g/mol, XLogP of 7.19, 5 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-11-methoxy-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;6-amino-8-thiophen-2-yl-4-thia-2,11-diazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide;argon;ethane;methane is sourced from PubChem (CID 157344241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).