N-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

C54H45N17O7S5 — CID 159648196

IUPACN-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESC=COOCc1cnc(NC(=O)c2ccccn2)s1.Cc1csc(NC(=O)c2ccccn2)n1.Cc1csc(NC(=O)c2n[nH]c3ccccc23)n1.O=C(Nc1nccs1)c1ccccn1.O=C(Nc1nccs1)c1n[nH]c2ccccc12
InChIInChI=1S/C12H10N4OS.C12H11N3O3S.C11H8N4OS.C10H9N3OS.C9H7N3OS/c1-7-6-18-12(13-7)14-11(17)10-8-4-2-3-5-9(8)15-16-10;1-2-17-18-8-9-7-14-12(19-9)15-11(16)10-5-3-4-6-13-10;16-10(13-11-12-5-6-17-11)9-7-3-1-2-4-8(7)14-15-9;1-7-6-15-10(12-7)13-9(14)8-4-2-3-5-11-8;13-8(7-3-1-2-4-10-7)12-9-11-5-6-14-9/h2-6H,1H3,(H,15,16)(H,13,14,17);2-7H,1,8H2,(H,14,15,16);1-6H,(H,14,15)(H,12,13,16);2-6H,1H3,(H,12,13,14);1-6H,(H,11,12,13)
InChIKeyMRFKROUBJMRHIN-UHFFFAOYSA-N
MW1204.40 g/mol
LogP11.12
Rot. Bonds14

About N-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

N-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 159648196) has the molecular formula C54H45N17O7S5 and a molecular weight of 1204.40 g/mol. Its IUPAC name is N-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID159648196
Molecular FormulaC54H45N17O7S5
Molecular Weight1204.40 g/mol
Exact Mass1203.23
IUPAC NameN-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESC=COOCc1cnc(NC(=O)c2ccccn2)s1.Cc1csc(NC(=O)c2ccccn2)n1.Cc1csc(NC(=O)c2n[nH]c3ccccc23)n1.O=C(Nc1nccs1)c1ccccn1.O=C(Nc1nccs1)c1n[nH]c2ccccc12
InChIInChI=1S/C12H10N4OS.C12H11N3O3S.C11H8N4OS.C10H9N3OS.C9H7N3OS/c1-7-6-18-12(13-7)14-11(17)10-8-4-2-3-5-9(8)15-16-10;1-2-17-18-8-9-7-14-12(19-9)15-11(16)10-5-3-4-6-13-10;16-10(13-11-12-5-6-17-11)9-7-3-1-2-4-8(7)14-15-9;1-7-6-15-10(12-7)13-9(14)8-4-2-3-5-11-8;13-8(7-3-1-2-4-10-7)12-9-11-5-6-14-9/h2-6H,1H3,(H,15,16)(H,13,14,17);2-7H,1,8H2,(H,14,15,16);1-6H,(H,14,15)(H,12,13,16);2-6H,1H3,(H,12,13,14);1-6H,(H,11,12,13)
InChIKeyMRFKROUBJMRHIN-UHFFFAOYSA-N
XLogP11.12
TPSA324.44 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001204.40
LogP ≤ 511.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 159648196) is N-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is C=COOCc1cnc(NC(=O)c2ccccn2)s1.Cc1csc(NC(=O)c2ccccn2)n1.Cc1csc(NC(=O)c2n[nH]c3ccccc23)n1.O=C(Nc1nccs1)c1ccccn1.O=C(Nc1nccs1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is MRFKROUBJMRHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS.C12H11N3O3S.C11H8N4OS.C10H9N3OS.C9H7N3OS/c1-7-6-18-12(13-7)14-11(17)10-8-4-2-3-5-9(8)15-16-10;1-2-17-18-8-9-7-14-12(19-9)15-11(16)10-5-3-4-6-13-10;16-10(13-11-12-5-6-17-11)9-7-3-1-2-4-8(7)14-15-9;1-7-6-15-10(12-7)13-9(14)8-4-2-3-5-11-8;13-8(7-3-1-2-4-10-7)12-9-11-5-6-14-9/h2-6H,1H3,(H,15,16)(H,13,14,17);2-7H,1,8H2,(H,14,15,16);1-6H,(H,14,15)(H,12,13,16);2-6H,1H3,(H,12,13,14);1-6H,(H,11,12,13).
What are the key properties of N-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
N-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 1204.40 g/mol, XLogP of 11.12, 14 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethenylperoxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide;N-(1,3-thiazol-2-yl)-1H-indazole-3-carboxamide;N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 159648196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).