5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate

C99H115N25O13S6 — CID 160971555

IUPAC5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate
SMILESCc1nnc2sc(C(=O)N(C)CCN(C)C(=O)OCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)C(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)C(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)S(=O)(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCNC(=O)c3ccccc3)c(N)c2c1C
InChIInChI=1S/C21H25N5O3S.C20H23N5O3S.C20H23N5O2S.C19H23N5O3S2.C19H21N5O2S/c1-13-14(2)23-24-19-16(13)17(22)18(30-19)20(27)25(3)10-11-26(4)21(28)29-12-15-8-6-5-7-9-15;1-12-13(2)22-23-18-15(12)16(21)17(29-18)19(26)24(3)10-11-25(4)20(27)28-14-8-6-5-7-9-14;1-12-13(2)22-23-18-15(12)16(21)17(28-18)20(27)25(4)11-10-24(3)19(26)14-8-6-5-7-9-14;1-12-13(2)21-22-18-15(12)16(20)17(28-18)19(25)23(3)10-11-24(4)29(26,27)14-8-6-5-7-9-14;1-11-12(2)22-23-18-14(11)15(20)16(27-18)19(26)24(3)10-9-21-17(25)13-7-5-4-6-8-13/h5-9H,10-12,22H2,1-4H3;5-9H,10-11,21H2,1-4H3;5-9H,10-11,21H2,1-4H3;5-9H,10-11,20H2,1-4H3;4-8H,9-10,20H2,1-3H3,(H,21,25)
InChIKeySYHZNDAFCFFBSS-UHFFFAOYSA-N
MW2055.57 g/mol
LogP13.73
Rot. Bonds27

About 5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate

5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate (PubChem CID 160971555) has the molecular formula C99H115N25O13S6 and a molecular weight of 2055.57 g/mol. Its IUPAC name is 5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Name5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate
PubChem CID160971555
Molecular FormulaC99H115N25O13S6
Molecular Weight2055.57 g/mol
Exact Mass2053.74
IUPAC Name5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate
SMILESCc1nnc2sc(C(=O)N(C)CCN(C)C(=O)OCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)C(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)C(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)S(=O)(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCNC(=O)c3ccccc3)c(N)c2c1C
InChIInChI=1S/C21H25N5O3S.C20H23N5O3S.C20H23N5O2S.C19H23N5O3S2.C19H21N5O2S/c1-13-14(2)23-24-19-16(13)17(22)18(30-19)20(27)25(3)10-11-26(4)21(28)29-12-15-8-6-5-7-9-15;1-12-13(2)22-23-18-15(12)16(21)17(29-18)19(26)24(3)10-11-25(4)20(27)28-14-8-6-5-7-9-14;1-12-13(2)22-23-18-15(12)16(21)17(28-18)20(27)25(4)11-10-24(3)19(26)14-8-6-5-7-9-14;1-12-13(2)21-22-18-15(12)16(20)17(28-18)19(25)23(3)10-11-24(4)29(26,27)14-8-6-5-7-9-14;1-11-12(2)22-23-18-14(11)15(20)16(27-18)19(26)24(3)10-9-21-17(25)13-7-5-4-6-8-13/h5-9H,10-12,22H2,1-4H3;5-9H,10-11,21H2,1-4H3;5-9H,10-11,21H2,1-4H3;5-9H,10-11,20H2,1-4H3;4-8H,9-10,20H2,1-3H3,(H,21,25)
InChIKeySYHZNDAFCFFBSS-UHFFFAOYSA-N
XLogP13.73
TPSA506.42 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds27
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002055.57
LogP ≤ 513.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate?
The IUPAC name of 5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate (CID 160971555) is 5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate.
What is the SMILES notation for 5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate?
The canonical SMILES for 5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate is Cc1nnc2sc(C(=O)N(C)CCN(C)C(=O)OCc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)C(=O)Oc3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)C(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCN(C)S(=O)(=O)c3ccccc3)c(N)c2c1C.Cc1nnc2sc(C(=O)N(C)CCNC(=O)c3ccccc3)c(N)c2c1C.
What is the InChIKey of 5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate?
The InChIKey is SYHZNDAFCFFBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S.C20H23N5O3S.C20H23N5O2S.C19H23N5O3S2.C19H21N5O2S/c1-13-14(2)23-24-19-16(13)17(22)18(30-19)20(27)25(3)10-11-26(4)21(28)29-12-15-8-6-5-7-9-15;1-12-13(2)22-23-18-15(12)16(21)17(29-18)19(26)24(3)10-11-25(4)20(27)28-14-8-6-5-7-9-14;1-12-13(2)22-23-18-15(12)16(21)17(28-18)20(27)25(4)11-10-24(3)19(26)14-8-6-5-7-9-14;1-12-13(2)21-22-18-15(12)16(20)17(28-18)19(25)23(3)10-11-24(4)29(26,27)14-8-6-5-7-9-14;1-11-12(2)22-23-18-14(11)15(20)16(27-18)19(26)24(3)10-9-21-17(25)13-7-5-4-6-8-13/h5-9H,10-12,22H2,1-4H3;5-9H,10-11,21H2,1-4H3;5-9H,10-11,21H2,1-4H3;5-9H,10-11,20H2,1-4H3;4-8H,9-10,20H2,1-3H3,(H,21,25).
What are the key properties of 5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate?
5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate has a molecular weight of 2055.57 g/mol, XLogP of 13.73, 27 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-benzamidoethyl)-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzenesulfonyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;5-amino-N-[2-[benzoyl(methyl)amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide;benzyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate;phenyl N-[2-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazine-6-carbonyl)-methylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 160971555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).