5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole

C36H24N6S4 — CID 139182805

IUPAC5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole
SMILESCc1sc(-c2ccccn2)nc1-c1sc(-c2ccccc2)nc1-c1nc(-c2ccccc2)sc1-c1nc(-c2ccccn2)sc1C
InChIInChI=1S/C36H24N6S4/c1-21-27(39-35(43-21)25-17-9-11-19-37-25)31-29(41-33(45-31)23-13-5-3-6-14-23)30-32(46-34(42-30)24-15-7-4-8-16-24)28-22(2)44-36(40-28)26-18-10-12-20-38-26/h3-20H,1-2H3
InChIKeyBCMAKZDNMAXUTL-UHFFFAOYSA-N
MW668.90 g/mol
LogP10.59
Rot. Bonds7

About 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole

5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole (PubChem CID 139182805) has the molecular formula C36H24N6S4 and a molecular weight of 668.90 g/mol. Its IUPAC name is 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole
PubChem CID139182805
Molecular FormulaC36H24N6S4
Molecular Weight668.90 g/mol
Exact Mass668.09
IUPAC Name5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole
SMILESCc1sc(-c2ccccn2)nc1-c1sc(-c2ccccc2)nc1-c1nc(-c2ccccc2)sc1-c1nc(-c2ccccn2)sc1C
InChIInChI=1S/C36H24N6S4/c1-21-27(39-35(43-21)25-17-9-11-19-37-25)31-29(41-33(45-31)23-13-5-3-6-14-23)30-32(46-34(42-30)24-15-7-4-8-16-24)28-22(2)44-36(40-28)26-18-10-12-20-38-26/h3-20H,1-2H3
InChIKeyBCMAKZDNMAXUTL-UHFFFAOYSA-N
XLogP10.59
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.90
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole (CID 139182805) is 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole is Cc1sc(-c2ccccn2)nc1-c1sc(-c2ccccc2)nc1-c1nc(-c2ccccc2)sc1-c1nc(-c2ccccn2)sc1C.
What is the InChIKey of 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is BCMAKZDNMAXUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N6S4/c1-21-27(39-35(43-21)25-17-9-11-19-37-25)31-29(41-33(45-31)23-13-5-3-6-14-23)30-32(46-34(42-30)24-15-7-4-8-16-24)28-22(2)44-36(40-28)26-18-10-12-20-38-26/h3-20H,1-2H3.
What are the key properties of 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole?
5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 668.90 g/mol, XLogP of 10.59, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-phenyl-1,3-thiazol-5-yl]-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 139182805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).