1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate

C75H48N20O8S7 — CID 157168906

IUPAC1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.Cc1nc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n[nH]1.O=C(c1nc(-c2nccs2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(-c2ncn[nH]2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(-c2nnco2)cs1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H11N3O3S2.C15H11N5OS.C15H9N3OS2.C14H9N5OS.C14H8N4O2S/c1-23-17(22)13-8-24-15(20-13)12-7-25-16(19-12)14(21)10-6-18-11-5-3-2-4-9(10)11;1-8-17-14(20-19-8)12-7-22-15(18-12)13(21)10-6-16-11-5-3-2-4-9(10)11;19-13(10-7-17-11-4-2-1-3-9(10)11)15-18-12(8-21-15)14-16-5-6-20-14;20-12(9-5-15-10-4-2-1-3-8(9)10)14-18-11(6-21-14)13-16-7-17-19-13;19-12(9-5-15-10-4-2-1-3-8(9)10)14-17-11(6-21-14)13-18-16-7-20-13/h2-8,18H,1H3;2-7,16H,1H3,(H,17,19,20);1-8,17H;1-7,15H,(H,16,17,19);1-7,15H
InChIKeyANFORIJFSXURAI-UHFFFAOYSA-N
MW1581.81 g/mol
LogP16.24
Rot. Bonds16

About 1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate

1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate (PubChem CID 157168906) has the molecular formula C75H48N20O8S7 and a molecular weight of 1581.81 g/mol. Its IUPAC name is 1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
PubChem CID157168906
Molecular FormulaC75H48N20O8S7
Molecular Weight1581.81 g/mol
Exact Mass1580.20
IUPAC Name1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.Cc1nc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n[nH]1.O=C(c1nc(-c2nccs2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(-c2ncn[nH]2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(-c2nnco2)cs1)c1c[nH]c2ccccc12
InChIInChI=1S/C17H11N3O3S2.C15H11N5OS.C15H9N3OS2.C14H9N5OS.C14H8N4O2S/c1-23-17(22)13-8-24-15(20-13)12-7-25-16(19-12)14(21)10-6-18-11-5-3-2-4-9(10)11;1-8-17-14(20-19-8)12-7-22-15(18-12)13(21)10-6-16-11-5-3-2-4-9(10)11;19-13(10-7-17-11-4-2-1-3-9(10)11)15-18-12(8-21-15)14-16-5-6-20-14;20-12(9-5-15-10-4-2-1-3-8(9)10)14-18-11(6-21-14)13-16-7-17-19-13;19-12(9-5-15-10-4-2-1-3-8(9)10)14-17-11(6-21-14)13-18-16-7-20-13/h2-8,18H,1H3;2-7,16H,1H3,(H,17,19,20);1-8,17H;1-7,15H,(H,16,17,19);1-7,15H
InChIKeyANFORIJFSXURAI-UHFFFAOYSA-N
XLogP16.24
TPSA402.89 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001581.81
LogP ≤ 516.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze 1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of 1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate (CID 157168906) is 1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for 1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.Cc1nc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n[nH]1.O=C(c1nc(-c2nccs2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(-c2ncn[nH]2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(-c2nnco2)cs1)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is ANFORIJFSXURAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3S2.C15H11N5OS.C15H9N3OS2.C14H9N5OS.C14H8N4O2S/c1-23-17(22)13-8-24-15(20-13)12-7-25-16(19-12)14(21)10-6-18-11-5-3-2-4-9(10)11;1-8-17-14(20-19-8)12-7-22-15(18-12)13(21)10-6-16-11-5-3-2-4-9(10)11;19-13(10-7-17-11-4-2-1-3-9(10)11)15-18-12(8-21-15)14-16-5-6-20-14;20-12(9-5-15-10-4-2-1-3-8(9)10)14-18-11(6-21-14)13-16-7-17-19-13;19-12(9-5-15-10-4-2-1-3-8(9)10)14-17-11(6-21-14)13-18-16-7-20-13/h2-8,18H,1H3;2-7,16H,1H3,(H,17,19,20);1-8,17H;1-7,15H,(H,16,17,19);1-7,15H.
What are the key properties of 1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate?
1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 1581.81 g/mol, XLogP of 16.24, 16 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3,4-oxadiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]methanone;1H-indol-3-yl-[4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]methanone;methyl 2-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 157168906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).