5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethylthiadiazole-5-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;4-ethylthiadiazole-5-carboxylic acid;4-methylmorpholine

C45H43Cl5F4N12O10S2 — CID 159152937

About 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethylthiadiazole-5-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;4-ethylthiadiazole-5-carboxylic acid;4-methylmorpholine

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethylthiadiazole-5-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;4-ethylthiadiazole-5-carboxylic acid;4-methylmorpholine (PubChem CID 159152937) has the molecular formula C45H43Cl5F4N12O10S2 and a molecular weight of 1229.30 g/mol. Its IUPAC name is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethylthiadiazole-5-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;4-ethylthiadiazole-5-carboxylic acid;4-methylmorpholine.

Molecular Properties

• Compound Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethylthiadiazole-5-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;4-ethylthiadiazole-5-carboxylic acid;4-methylmorpholine
• PubChem CID: 159152937
• Molecular Formula: C45H43Cl5F4N12O10S2
• Molecular Weight: 1229.30 g/mol
• Exact Mass: 1226.10
• IUPAC Name: 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethylthiadiazole-5-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;4-ethylthiadiazole-5-carboxylic acid;4-methylmorpholine
• SMILES: CCc1nnsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CCc1nnsc1C(=O)O.CN1CCOCC1.COc1nc(Cl)nc(OC)n1.ClCCl.Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
• InChI: InChI=1S/C17H11ClF2N4O3S.C12H7ClF2N2O2.C5H6ClN3O2.C5H6N2O2S.C5H11NO.CH2Cl2/c1-2-11-15(28-24-23-11)16(25)22-14-4-3-8(7-21-14)9-5-12-13(6-10(9)18)27-17(19,20)26-12;13-8-4-10-9(18-12(14,15)19-10)3-7(8)6-1-2-11(16)17-5-6;1-10-4-7-3(6)8-5(9-4)11-2;1-2-3-4(5(8)9)10-7-6-3;1-6-2-4-7-5-3-6;2-1-3/h3-7H,2H2,1H3,(H,21,22,25);1-5H,(H2,16,17);1-2H3;2H2,1H3,(H,8,9);2-5H2,1H3;1H2
• InChIKey: KJNMLTCMMHYRNN-UHFFFAOYSA-N
• XLogP: 10.41
• TPSA: 276.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 9
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1229.30
LogP ≤ 5	10.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethylthiadiazole-5-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;4-ethylthiadiazole-5-carboxylic acid;4-methylmorpholine?

The IUPAC name of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethylthiadiazole-5-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;4-ethylthiadiazole-5-carboxylic acid;4-methylmorpholine (CID 159152937) is 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethylthiadiazole-5-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;4-ethylthiadiazole-5-carboxylic acid;4-methylmorpholine.

What is the SMILES notation for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethylthiadiazole-5-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;4-ethylthiadiazole-5-carboxylic acid;4-methylmorpholine?

The canonical SMILES for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethylthiadiazole-5-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;4-ethylthiadiazole-5-carboxylic acid;4-methylmorpholine is CCc1nnsc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CCc1nnsc1C(=O)O.CN1CCOCC1.COc1nc(Cl)nc(OC)n1.ClCCl.Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.

What is the InChIKey of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethylthiadiazole-5-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;4-ethylthiadiazole-5-carboxylic acid;4-methylmorpholine?

The InChIKey is KJNMLTCMMHYRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N4O3S.C12H7ClF2N2O2.C5H6ClN3O2.C5H6N2O2S.C5H11NO.CH2Cl2/c1-2-11-15(28-24-23-11)16(25)22-14-4-3-8(7-21-14)9-5-12-13(6-10(9)18)27-17(19,20)26-12;13-8-4-10-9(18-12(14,15)19-10)3-7(8)6-1-2-11(16)17-5-6;1-10-4-7-3(6)8-5(9-4)11-2;1-2-3-4(5(8)9)10-7-6-3;1-6-2-4-7-5-3-6;2-1-3/h3-7H,2H2,1H3,(H,21,22,25);1-5H,(H2,16,17);1-2H3;2H2,1H3,(H,8,9);2-5H2,1H3;1H2.

What are the key properties of 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethylthiadiazole-5-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;4-ethylthiadiazole-5-carboxylic acid;4-methylmorpholine?

5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethylthiadiazole-5-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;4-ethylthiadiazole-5-carboxylic acid;4-methylmorpholine has a molecular weight of 1229.30 g/mol, XLogP of 10.41, 9 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridin-2-amine;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-ethylthiadiazole-5-carboxamide;2-chloro-4,6-dimethoxy-1,3,5-triazine;dichloromethane;4-ethylthiadiazole-5-carboxylic acid;4-methylmorpholine is sourced from PubChem (CID 159152937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).