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

C38H24N4S2 — CID 59999908

IUPAC5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2nc3sccn3c2-c2ccc(-c3ccc(-c4c(-c5ccc6ccccc6c5)nc5sccn45)cc3)cc2)cc1
InChIInChI=1S/C38H24N4S2/c1-2-7-28(8-3-1)33-35(41-20-22-43-37(41)39-33)29-15-10-26(11-16-29)27-12-17-30(18-13-27)36-34(40-38-42(36)21-23-44-38)32-19-14-25-6-4-5-9-31(25)24-32/h1-24H
InChIKeyHUQYXJWVODGUJS-UHFFFAOYSA-N
MW600.77 g/mol
LogP10.59
Rot. Bonds5

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

5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole (PubChem CID 59999908) has the molecular formula C38H24N4S2 and a molecular weight of 600.77 g/mol. Its IUPAC name is 5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole
PubChem CID59999908
Molecular FormulaC38H24N4S2
Molecular Weight600.77 g/mol
Exact Mass600.14
IUPAC Name5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESc1ccc(-c2nc3sccn3c2-c2ccc(-c3ccc(-c4c(-c5ccc6ccccc6c5)nc5sccn45)cc3)cc2)cc1
InChIInChI=1S/C38H24N4S2/c1-2-7-28(8-3-1)33-35(41-20-22-43-37(41)39-33)29-15-10-26(11-16-29)27-12-17-30(18-13-27)36-34(40-38-42(36)21-23-44-38)32-19-14-25-6-4-5-9-31(25)24-32/h1-24H
InChIKeyHUQYXJWVODGUJS-UHFFFAOYSA-N
XLogP10.59
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 510.59
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 5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole (CID 59999908) is 5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole is c1ccc(-c2nc3sccn3c2-c2ccc(-c3ccc(-c4c(-c5ccc6ccccc6c5)nc5sccn45)cc3)cc2)cc1.
What is the InChIKey of 5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole?
The InChIKey is HUQYXJWVODGUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4S2/c1-2-7-28(8-3-1)33-35(41-20-22-43-37(41)39-33)29-15-10-26(11-16-29)27-12-17-30(18-13-27)36-34(40-38-42(36)21-23-44-38)32-19-14-25-6-4-5-9-31(25)24-32/h1-24H.
What are the key properties of 5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole?
5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole has a molecular weight of 600.77 g/mol, XLogP of 10.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)phenyl]phenyl]-6-phenylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 59999908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).