1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate

C77H50N20O10S5 — CID 159897350

IUPAC1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.Cc1nc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n[nH]1.Cc1nc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)no1.O=C(c1nc(-c2ncon2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(-c2nnco2)cs1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H13N3O3S.C15H11N5OS.C15H10N4O2S.2C14H8N4O2S/c1-25-19(24)15-8-4-7-14(21-15)16-10-26-18(22-16)17(23)12-9-20-13-6-3-2-5-11(12)13;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;1-8-17-14(19-21-8)12-7-22-15(18-12)13(20)10-6-16-11-5-3-2-4-9(10)11;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;19-12(9-5-15-10-4-2-1-3-8(9)10)14-17-11(6-21-14)13-16-7-20-18-13/h2-10,20H,1H3;2-7,16H,1H3,(H,17,19,20);2-7,16H,1H3;2*1-7,15H
InChIKeyNVMYAEIDAJMRMR-UHFFFAOYSA-N
MW1575.71 g/mol
LogP15.68
Rot. Bonds16

About 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate

1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate (PubChem CID 159897350) has the molecular formula C77H50N20O10S5 and a molecular weight of 1575.71 g/mol. Its IUPAC name is 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Name1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate
PubChem CID159897350
Molecular FormulaC77H50N20O10S5
Molecular Weight1575.71 g/mol
Exact Mass1574.26
IUPAC Name1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.Cc1nc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n[nH]1.Cc1nc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)no1.O=C(c1nc(-c2ncon2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(-c2nnco2)cs1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H13N3O3S.C15H11N5OS.C15H10N4O2S.2C14H8N4O2S/c1-25-19(24)15-8-4-7-14(21-15)16-10-26-18(22-16)17(23)12-9-20-13-6-3-2-5-11(12)13;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;1-8-17-14(19-21-8)12-7-22-15(18-12)13(20)10-6-16-11-5-3-2-4-9(10)11;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;19-12(9-5-15-10-4-2-1-3-8(9)10)14-17-11(6-21-14)13-16-7-20-18-13/h2-10,20H,1H3;2-7,16H,1H3,(H,17,19,20);2-7,16H,1H3;2*1-7,15H
InChIKeyNVMYAEIDAJMRMR-UHFFFAOYSA-N
XLogP15.68
TPSA426.27 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001575.71
LogP ≤ 515.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate?
The IUPAC name of 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate (CID 159897350) is 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate.
What is the SMILES notation for 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate?
The canonical SMILES for 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate is COC(=O)c1cccc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n1.Cc1nc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)n[nH]1.Cc1nc(-c2csc(C(=O)c3c[nH]c4ccccc34)n2)no1.O=C(c1nc(-c2ncon2)cs1)c1c[nH]c2ccccc12.O=C(c1nc(-c2nnco2)cs1)c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate?
The InChIKey is NVMYAEIDAJMRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S.C15H11N5OS.C15H10N4O2S.2C14H8N4O2S/c1-25-19(24)15-8-4-7-14(21-15)16-10-26-18(22-16)17(23)12-9-20-13-6-3-2-5-11(12)13;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;1-8-17-14(19-21-8)12-7-22-15(18-12)13(20)10-6-16-11-5-3-2-4-9(10)11;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;19-12(9-5-15-10-4-2-1-3-8(9)10)14-17-11(6-21-14)13-16-7-20-18-13/h2-10,20H,1H3;2-7,16H,1H3,(H,17,19,20);2-7,16H,1H3;2*1-7,15H.
What are the key properties of 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate?
1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate has a molecular weight of 1575.71 g/mol, XLogP of 15.68, 16 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone;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-(1,2,4-oxadiazol-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;methyl 6-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]pyridine-2-carboxylate is sourced from PubChem (CID 159897350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).