carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne

C82H85Cl7N16O7S10 — CID 163719895

About carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne

carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne (PubChem CID 163719895) has the molecular formula C82H85Cl7N16O7S10 and a molecular weight of 1975.53 g/mol. Its IUPAC name is carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne.

Molecular Properties

• Compound Name: carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne
• PubChem CID: 163719895
• Molecular Formula: C82H85Cl7N16O7S10
• Molecular Weight: 1975.53 g/mol
• Exact Mass: 1970.18
• IUPAC Name: carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne
• SMILES: C#CC#CC#CC.Cc1csc(C)c1N.Cc1csc(Cl)c1C.Cc1csc(Cl)c1N.Cc1csc(Cl)c1N.Cc1cscc1C.Cc1nc(Cc2ncc(C(=O)Nc3c(C)csc3Cl)s2)cc(N2CCN(CCO)CC2)n1.Cc1nc(Cl)cc(Cc2ncc(C(=O)Nc3c(C)csc3Cl)s2)n1.Cc1nc(Cl)cc(Cc2ncc(C(=O)O)s2)n1.O=C=O
• InChI: InChI=1S/C21H25ClN6O2S2.C15H12Cl2N4OS2.C10H8ClN3O2S.C7H4.C6H7ClS.C6H9NS.C6H8S.2C5H6ClNS.CO2/c1-13-12-31-20(22)19(13)26-21(30)16-11-23-18(32-16)10-15-9-17(25-14(2)24-15)28-5-3-27(4-6-28)7-8-29;1-7-6-23-14(17)13(7)21-15(22)10-5-18-12(24-10)4-9-3-11(16)20-8(2)19-9;1-5-13-6(2-8(11)14-5)3-9-12-4-7(17-9)10(15)16;1-3-5-7-6-4-2;1-4-3-8-6(7)5(4)2;1-4-3-8-5(2)6(4)7;1-5-3-7-4-6(5)2;2*1-3-2-8-5(6)4(3)7;2-1-3/h9,11-12,29H,3-8,10H2,1-2H3,(H,26,30);3,5-6H,4H2,1-2H3,(H,21,22);2,4H,3H2,1H3,(H,15,16);1H,2H3;3H,1-2H3;3H,7H2,1-2H3;3-4H,1-2H3;2*2H,7H2,1H3
• InChIKey: KQPYMEWHECFMCS-UHFFFAOYSA-N
• XLogP: 22.14
• TPSA: 350.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1975.53
LogP ≤ 5	22.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne?

The IUPAC name of carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne (CID 163719895) is carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne.

What is the SMILES notation for carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne?

The canonical SMILES for carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne is C#CC#CC#CC.Cc1csc(C)c1N.Cc1csc(Cl)c1C.Cc1csc(Cl)c1N.Cc1csc(Cl)c1N.Cc1cscc1C.Cc1nc(Cc2ncc(C(=O)Nc3c(C)csc3Cl)s2)cc(N2CCN(CCO)CC2)n1.Cc1nc(Cl)cc(Cc2ncc(C(=O)Nc3c(C)csc3Cl)s2)n1.Cc1nc(Cl)cc(Cc2ncc(C(=O)O)s2)n1.O=C=O.

What is the InChIKey of carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne?

The InChIKey is KQPYMEWHECFMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O2S2.C15H12Cl2N4OS2.C10H8ClN3O2S.C7H4.C6H7ClS.C6H9NS.C6H8S.2C5H6ClNS.CO2/c1-13-12-31-20(22)19(13)26-21(30)16-11-23-18(32-16)10-15-9-17(25-14(2)24-15)28-5-3-27(4-6-28)7-8-29;1-7-6-23-14(17)13(7)21-15(22)10-5-18-12(24-10)4-9-3-11(16)20-8(2)19-9;1-5-13-6(2-8(11)14-5)3-9-12-4-7(17-9)10(15)16;1-3-5-7-6-4-2;1-4-3-8-6(7)5(4)2;1-4-3-8-5(2)6(4)7;1-5-3-7-4-6(5)2;2*1-3-2-8-5(6)4(3)7;2-1-3/h9,11-12,29H,3-8,10H2,1-2H3,(H,26,30);3,5-6H,4H2,1-2H3,(H,21,22);2,4H,3H2,1H3,(H,15,16);1H,2H3;3H,1-2H3;3H,7H2,1-2H3;3-4H,1-2H3;2*2H,7H2,1H3;.

What are the key properties of carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne?

carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne has a molecular weight of 1975.53 g/mol, XLogP of 22.14, 14 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;2-chloro-3,4-dimethylthiophene;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-N-(2-chloro-4-methylthiophen-3-yl)-1,3-thiazole-5-carboxamide;2-[(6-chloro-2-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid;bis(2-chloro-4-methylthiophen-3-amine);N-(2-chloro-4-methylthiophen-3-yl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]methyl]-1,3-thiazole-5-carboxamide;2,4-dimethylthiophen-3-amine;3,4-dimethylthiophene;hepta-1,3,5-triyne is sourced from PubChem (CID 163719895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).