4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide)

C108H123Br2N17O13S5 — CID 158841121

About 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide)

4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide) (PubChem CID 158841121) has the molecular formula C108H123Br2N17O13S5 and a molecular weight of 2187.42 g/mol. Its IUPAC name is 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide).

Molecular Properties

• Compound Name: 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide)
• PubChem CID: 158841121
• Molecular Formula: C108H123Br2N17O13S5
• Molecular Weight: 2187.42 g/mol
• Exact Mass: 2183.65
• IUPAC Name: 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide)
• SMILES: C.C.CCC(Br)C(=O)c1ccc(C(=O)OC)cc1.CCC(Br)C(=O)c1ccc(C(=O)OC)cc1.CCc1sc(-c2cnc(C)cn2)cc1-c1ccc(C(=O)OC)cc1.CCc1sc(-c2cnc(C)cn2)nc1-c1ccc(C(=O)OC)cc1.CCc1sc(-c2cnccn2)cc1-c1ccc(C(=O)Nc2cnc(C)cc2C)cc1.CO.CO.Cc1cc(C)c(N)cn1.Cc1cnc(C(N)=S)cn1.Cc1cnc(C(N)=S)cn1
• InChI: InChI=1S/C24H22N4OS.C19H18N2O2S.C18H17N3O2S.2C12H13BrO3.C7H10N2.2C6H7N3S.2CH4O.2CH4/c1-4-22-19(12-23(30-22)21-13-25-9-10-26-21)17-5-7-18(8-6-17)24(29)28-20-14-27-16(3)11-15(20)2;1-4-17-15(13-5-7-14(8-6-13)19(22)23-3)9-18(24-17)16-11-20-12(2)10-21-16;1-4-15-16(12-5-7-13(8-6-12)18(22)23-3)21-17(24-15)14-10-19-11(2)9-20-14;2*1-3-10(13)11(14)8-4-6-9(7-5-8)12(15)16-2;1-5-3-6(2)9-4-7(5)8;2*1-4-2-9-5(3-8-4)6(7)10;2*1-2;;/h5-14H,4H2,1-3H3,(H,28,29);5-11H,4H2,1-3H3;5-10H,4H2,1-3H3;2*4-7,10H,3H2,1-2H3;3-4H,8H2,1-2H3;2*2-3H,1H3,(H2,7,10);2*2H,1H3;2*1H4
• InChIKey: IYGIUTINKVPPRX-UHFFFAOYSA-N
• XLogP: 22.42
• TPSA: 454.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 23
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2187.42
LogP ≤ 5	22.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide)?

The IUPAC name of 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide) (CID 158841121) is 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide).

What is the SMILES notation for 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide)?

The canonical SMILES for 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide) is C.C.CCC(Br)C(=O)c1ccc(C(=O)OC)cc1.CCC(Br)C(=O)c1ccc(C(=O)OC)cc1.CCc1sc(-c2cnc(C)cn2)cc1-c1ccc(C(=O)OC)cc1.CCc1sc(-c2cnc(C)cn2)nc1-c1ccc(C(=O)OC)cc1.CCc1sc(-c2cnccn2)cc1-c1ccc(C(=O)Nc2cnc(C)cc2C)cc1.CO.CO.Cc1cc(C)c(N)cn1.Cc1cnc(C(N)=S)cn1.Cc1cnc(C(N)=S)cn1.

What is the InChIKey of 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide)?

The InChIKey is IYGIUTINKVPPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS.C19H18N2O2S.C18H17N3O2S.2C12H13BrO3.C7H10N2.2C6H7N3S.2CH4O.2CH4/c1-4-22-19(12-23(30-22)21-13-25-9-10-26-21)17-5-7-18(8-6-17)24(29)28-20-14-27-16(3)11-15(20)2;1-4-17-15(13-5-7-14(8-6-13)19(22)23-3)9-18(24-17)16-11-20-12(2)10-21-16;1-4-15-16(12-5-7-13(8-6-12)18(22)23-3)21-17(24-15)14-10-19-11(2)9-20-14;2*1-3-10(13)11(14)8-4-6-9(7-5-8)12(15)16-2;1-5-3-6(2)9-4-7(5)8;2*1-4-2-9-5(3-8-4)6(7)10;2*1-2;;/h5-14H,4H2,1-3H3,(H,28,29);5-11H,4H2,1-3H3;5-10H,4H2,1-3H3;2*4-7,10H,3H2,1-2H3;3-4H,8H2,1-2H3;2*2-3H,1H3,(H2,7,10);2*2H,1H3;2*1H4.

What are the key properties of 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide)?

4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide) has a molecular weight of 2187.42 g/mol, XLogP of 22.42, 23 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dimethylpyridin-3-amine;N-(4,6-dimethyl-3-pyridinyl)-4-(2-ethyl-5-pyrazin-2-ylthiophen-3-yl)benzamide;methane;methanol;bis(methyl 4-(2-bromobutanoyl)benzoate);methyl 4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzoate;methyl 4-[2-ethyl-5-(5-methylpyrazin-2-yl)thiophen-3-yl]benzoate;bis(5-methylpyrazine-2-carbothioamide) is sourced from PubChem (CID 158841121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).