6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole

C42H26N4S2 — CID 59999919

IUPAC6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc2cc(-c3nc4sccn4c3-c3ccc(-c4ccc(-c5c(-c6ccc7ccccc7c6)nc6sccn56)cc4)cc3)ccc2c1
InChIInChI=1S/C42H26N4S2/c1-3-7-33-25-35(19-13-27(33)5-1)37-39(45-21-23-47-41(45)43-37)31-15-9-29(10-16-31)30-11-17-32(18-12-30)40-38(44-42-46(40)22-24-48-42)36-20-14-28-6-2-4-8-34(28)26-36/h1-26H
InChIKeyZGCCYPXZFXUBML-UHFFFAOYSA-N
MW650.83 g/mol
LogP11.75
Rot. Bonds5

About 6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole

6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 59999919) has the molecular formula C42H26N4S2 and a molecular weight of 650.83 g/mol. Its IUPAC name is 6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole
PubChem CID59999919
Molecular FormulaC42H26N4S2
Molecular Weight650.83 g/mol
Exact Mass650.16
IUPAC Name6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole
SMILESc1ccc2cc(-c3nc4sccn4c3-c3ccc(-c4ccc(-c5c(-c6ccc7ccccc7c6)nc6sccn56)cc4)cc3)ccc2c1
InChIInChI=1S/C42H26N4S2/c1-3-7-33-25-35(19-13-27(33)5-1)37-39(45-21-23-47-41(45)43-37)31-15-9-29(10-16-31)30-11-17-32(18-12-30)40-38(44-42-46(40)22-24-48-42)36-20-14-28-6-2-4-8-34(28)26-36/h1-26H
InChIKeyZGCCYPXZFXUBML-UHFFFAOYSA-N
XLogP11.75
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.83
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-Naphthalen-2-ylimidazo[2,1-b][1,3]thiazole
CID 757879
N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 142505363
N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine
CID 142505435
2-(4-Naphthalen-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 11561690
2-(4-Naphthalen-2-ylphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 11712228
1,3-bis[(E)-[4-(7-methylimidazo[2,1-b]thiazol-7-ium-6-yl)phenyl]methyleneamino]thiourea
CID 9574783
6-(4-Phenylphenyl)imidazo[2,1-b][1,3]thiazole
CID 333020
4-[(E)-[4-(7-methylimidazo[2,1-b]thiazol-7-ium-6-yl)phenyl]methyleneamino]-3-[(2Z)-2-[[4-(7-methylimidazo[2,1-b]thiazol-7-ium-6-yl)phenyl]methylene]hydrazino]-1H-1,2,4-triazole-5-thione
CID 176468629
Imidazo[2,1-b]thiazolium, 6,6'-[1,4-piperazinediylbis(nitrilomethylidyne-4,1-phenylene)]bis[7-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)
CID 176468644
6-[4-Ethyl-2-(4-fluoro-2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-5-(2-imidazo[2,1-b][1,3]thiazol-6-yl-5-methylphenyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole
CID 164581217
3-[6-Imidazo[2,1-b][1,3]thiazol-6-yl-3-(trifluoromethyl)-2-pyridinyl]-4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzonitrile
CID 164581275
6-[2-[5-Chloro-2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-(trifluoromethyl)phenyl]-2-methylimidazo[2,1-b][1,3]thiazole
CID 164581289

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole (CID 59999919) is 6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole is c1ccc2cc(-c3nc4sccn4c3-c3ccc(-c4ccc(-c5c(-c6ccc7ccccc7c6)nc6sccn56)cc4)cc3)ccc2c1.
What is the InChIKey of 6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is ZGCCYPXZFXUBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4S2/c1-3-7-33-25-35(19-13-27(33)5-1)37-39(45-21-23-47-41(45)43-37)31-15-9-29(10-16-31)30-11-17-32(18-12-30)40-38(44-42-46(40)22-24-48-42)36-20-14-28-6-2-4-8-34(28)26-36/h1-26H.
What are the key properties of 6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole?
6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 650.83 g/mol, XLogP of 11.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 59999919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).