1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine

C36H32N10OS3 — CID 91562198

IUPAC1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine
SMILESCOc1ccc(-c2nccs2)nc1N(c1ccc(N2CCN(C)CC2)cn1)N(c1ccc(-c2ccsc2)cn1)c1cccc(-c2nccs2)n1
InChIInChI=1S/C36H32N10OS3/c1-43-15-17-44(18-16-43)27-7-11-32(40-23-27)46(34-30(47-2)9-8-29(42-34)36-38-14-21-50-36)45(31-10-6-25(22-39-31)26-12-19-48-24-26)33-5-3-4-28(41-33)35-37-13-20-49-35/h3-14,19-24H,15-18H2,1-2H3
InChIKeyNOOVOSJESBORNF-UHFFFAOYSA-N
MW716.92 g/mol
LogP7.89
Rot. Bonds10

About 1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine

1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine (PubChem CID 91562198) has the molecular formula C36H32N10OS3 and a molecular weight of 716.92 g/mol. Its IUPAC name is 1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine.

Molecular Properties

Compound Name1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine
PubChem CID91562198
Molecular FormulaC36H32N10OS3
Molecular Weight716.92 g/mol
Exact Mass716.19
IUPAC Name1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine
SMILESCOc1ccc(-c2nccs2)nc1N(c1ccc(N2CCN(C)CC2)cn1)N(c1ccc(-c2ccsc2)cn1)c1cccc(-c2nccs2)n1
InChIInChI=1S/C36H32N10OS3/c1-43-15-17-44(18-16-43)27-7-11-32(40-23-27)46(34-30(47-2)9-8-29(42-34)36-38-14-21-50-36)45(31-10-6-25(22-39-31)26-12-19-48-24-26)33-5-3-4-28(41-33)35-37-13-20-49-35/h3-14,19-24H,15-18H2,1-2H3
InChIKeyNOOVOSJESBORNF-UHFFFAOYSA-N
XLogP7.89
TPSA99.53 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500716.92
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine?
The IUPAC name of 1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine (CID 91562198) is 1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine.
What is the SMILES notation for 1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine?
The canonical SMILES for 1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine is COc1ccc(-c2nccs2)nc1N(c1ccc(N2CCN(C)CC2)cn1)N(c1ccc(-c2ccsc2)cn1)c1cccc(-c2nccs2)n1.
What is the InChIKey of 1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine?
The InChIKey is NOOVOSJESBORNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N10OS3/c1-43-15-17-44(18-16-43)27-7-11-32(40-23-27)46(34-30(47-2)9-8-29(42-34)36-38-14-21-50-36)45(31-10-6-25(22-39-31)26-12-19-48-24-26)33-5-3-4-28(41-33)35-37-13-20-49-35/h3-14,19-24H,15-18H2,1-2H3.
What are the key properties of 1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine?
1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine has a molecular weight of 716.92 g/mol, XLogP of 7.89, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-2-(5-thiophen-3-yl-2-pyridinyl)hydrazine is sourced from PubChem (CID 91562198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).