3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine

C113H160F3N33O12S5 — CID 160859348

IUPAC3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine
SMILESC.C.C.C=C(C)Nc1nc2c(s1)-c1cc(NC)ccc1CC2.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCOC(=O)c1nnc(NC)s1.CNC(=O)c1cc(NC)cc(C(=O)NC)c1.CNC(=O)c1cc(NC)cc(C(F)(F)F)c1.CNc1cc(C2CC2)nn1C.CNc1cccc(-c2ccn(C)n2)c1.CNc1cccc(-c2nncn2C)c1.CNc1cccc(-c2nnn(C)n2)c1.CNc1cccc(N(CC(=O)N(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H17N3S.C12H19N3O3S.C11H15N3O2.C11H13N3.C10H11F3N2O.C10H12N4.C9H11N5.2C9H14N2O2S.C8H13N3.C6H9N3O2S.3CH4/c1-9(2)17-15-18-13-7-5-10-4-6-11(16-3)8-12(10)14(13)19-15;1-13-10-6-5-7-11(8-10)15(19(4,17)18)9-12(16)14(2)3;1-12-9-5-7(10(15)13-2)4-8(6-9)11(16)14-3;1-12-10-5-3-4-9(8-10)11-6-7-14(2)13-11;1-14-8-4-6(9(16)15-2)3-7(5-8)10(11,12)13;1-11-9-5-3-4-8(6-9)10-13-12-7-14(10)2;1-10-8-5-3-4-7(6-8)9-11-13-14(2)12-9;2*1-3-11-14(12,13)9-6-4-5-8(7-9)10-2;1-9-8-5-7(6-3-4-6)10-11(8)2;1-3-11-5(10)4-8-9-6(7-2)12-4;;;/h4,6,8,16H,1,5,7H2,2-3H3,(H,17,18);5-8,13H,9H2,1-4H3;4-6,12H,1-3H3,(H,13,15)(H,14,16);3-8,12H,1-2H3;3-5,14H,1-2H3,(H,15,16);3-7,11H,1-2H3;3-6,10H,1-2H3;2*4-7,10-11H,3H2,1-2H3;5-6,9H,3-4H2,1-2H3;3H2,1-2H3,(H,7,9);3*1H4
InChIKeySKGUTDMJCHICGB-UHFFFAOYSA-N
MW2390.07 g/mol
LogP17.66
Rot. Bonds32

About 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine

3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine (PubChem CID 160859348) has the molecular formula C113H160F3N33O12S5 and a molecular weight of 2390.07 g/mol. Its IUPAC name is 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine.

Molecular Properties

Compound Name3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine
PubChem CID160859348
Molecular FormulaC113H160F3N33O12S5
Molecular Weight2390.07 g/mol
Exact Mass2388.15
IUPAC Name3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine
SMILESC.C.C.C=C(C)Nc1nc2c(s1)-c1cc(NC)ccc1CC2.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCOC(=O)c1nnc(NC)s1.CNC(=O)c1cc(NC)cc(C(=O)NC)c1.CNC(=O)c1cc(NC)cc(C(F)(F)F)c1.CNc1cc(C2CC2)nn1C.CNc1cccc(-c2ccn(C)n2)c1.CNc1cccc(-c2nncn2C)c1.CNc1cccc(-c2nnn(C)n2)c1.CNc1cccc(N(CC(=O)N(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C15H17N3S.C12H19N3O3S.C11H15N3O2.C11H13N3.C10H11F3N2O.C10H12N4.C9H11N5.2C9H14N2O2S.C8H13N3.C6H9N3O2S.3CH4/c1-9(2)17-15-18-13-7-5-10-4-6-11(16-3)8-12(10)14(13)19-15;1-13-10-6-5-7-11(8-10)15(19(4,17)18)9-12(16)14(2)3;1-12-9-5-7(10(15)13-2)4-8(6-9)11(16)14-3;1-12-10-5-3-4-9(8-10)11-6-7-14(2)13-11;1-14-8-4-6(9(16)15-2)3-7(5-8)10(11,12)13;1-11-9-5-3-4-8(6-9)10-13-12-7-14(10)2;1-10-8-5-3-4-7(6-8)9-11-13-14(2)12-9;2*1-3-11-14(12,13)9-6-4-5-8(7-9)10-2;1-9-8-5-7(6-3-4-6)10-11(8)2;1-3-11-5(10)4-8-9-6(7-2)12-4;;;/h4,6,8,16H,1,5,7H2,2-3H3,(H,17,18);5-8,13H,9H2,1-4H3;4-6,12H,1-3H3,(H,13,15)(H,14,16);3-8,12H,1-2H3;3-5,14H,1-2H3,(H,15,16);3-7,11H,1-2H3;3-6,10H,1-2H3;2*4-7,10-11H,3H2,1-2H3;5-6,9H,3-4H2,1-2H3;3H2,1-2H3,(H,7,9);3*1H4
InChIKeySKGUTDMJCHICGB-UHFFFAOYSA-N
XLogP17.66
TPSA556.61 Ų
H-Bond Donors17
H-Bond Acceptors40
Rotatable Bonds32
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002390.07
LogP ≤ 517.66
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1040

Analyze 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine?
The IUPAC name of 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine (CID 160859348) is 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine.
What is the SMILES notation for 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine?
The canonical SMILES for 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine is C.C.C.C=C(C)Nc1nc2c(s1)-c1cc(NC)ccc1CC2.CCNS(=O)(=O)c1cccc(NC)c1.CCNS(=O)(=O)c1cccc(NC)c1.CCOC(=O)c1nnc(NC)s1.CNC(=O)c1cc(NC)cc(C(=O)NC)c1.CNC(=O)c1cc(NC)cc(C(F)(F)F)c1.CNc1cc(C2CC2)nn1C.CNc1cccc(-c2ccn(C)n2)c1.CNc1cccc(-c2nncn2C)c1.CNc1cccc(-c2nnn(C)n2)c1.CNc1cccc(N(CC(=O)N(C)C)S(C)(=O)=O)c1.
What is the InChIKey of 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine?
The InChIKey is SKGUTDMJCHICGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S.C12H19N3O3S.C11H15N3O2.C11H13N3.C10H11F3N2O.C10H12N4.C9H11N5.2C9H14N2O2S.C8H13N3.C6H9N3O2S.3CH4/c1-9(2)17-15-18-13-7-5-10-4-6-11(16-3)8-12(10)14(13)19-15;1-13-10-6-5-7-11(8-10)15(19(4,17)18)9-12(16)14(2)3;1-12-9-5-7(10(15)13-2)4-8(6-9)11(16)14-3;1-12-10-5-3-4-9(8-10)11-6-7-14(2)13-11;1-14-8-4-6(9(16)15-2)3-7(5-8)10(11,12)13;1-11-9-5-3-4-8(6-9)10-13-12-7-14(10)2;1-10-8-5-3-4-7(6-8)9-11-13-14(2)12-9;2*1-3-11-14(12,13)9-6-4-5-8(7-9)10-2;1-9-8-5-7(6-3-4-6)10-11(8)2;1-3-11-5(10)4-8-9-6(7-2)12-4;;;/h4,6,8,16H,1,5,7H2,2-3H3,(H,17,18);5-8,13H,9H2,1-4H3;4-6,12H,1-3H3,(H,13,15)(H,14,16);3-8,12H,1-2H3;3-5,14H,1-2H3,(H,15,16);3-7,11H,1-2H3;3-6,10H,1-2H3;2*4-7,10-11H,3H2,1-2H3;5-6,9H,3-4H2,1-2H3;3H2,1-2H3,(H,7,9);3*1H4.
What are the key properties of 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine?
3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine has a molecular weight of 2390.07 g/mol, XLogP of 17.66, 32 rotatable bonds, 17 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N,1-dimethylpyrazol-5-amine;1-N,3-N-dimethyl-5-(methylamino)benzene-1,3-dicarboxamide;N,N-dimethyl-2-[3-(methylamino)-N-methylsulfonylanilino]acetamide;bis(N-ethyl-3-(methylamino)benzenesulfonamide);ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;methane;N-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide;N-methyl-3-(1-methylpyrazol-3-yl)aniline;N-methyl-3-(2-methyltetrazol-5-yl)aniline;N-methyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline;8-N-methyl-2-N-prop-1-en-2-yl-4,5-dihydrobenzo[g][1,3]benzothiazole-2,8-diamine is sourced from PubChem (CID 160859348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).