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

C37H27FN6S3 — CID 164581217

IUPAC6-[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
SMILESCCc1cc(-c2ccc(F)cc2-c2cn3ccsc3n2)c(-c2cn3cc(C)sc3n2)cc1-c1cc(C)ccc1-c1cn2ccsc2n1
InChIInChI=1S/C37H27FN6S3/c1-4-23-14-29(25-8-6-24(38)15-30(25)33-19-43-10-12-46-36(43)40-33)31(34-20-44-17-22(3)47-37(44)41-34)16-27(23)28-13-21(2)5-7-26(28)32-18-42-9-11-45-35(42)39-32/h5-20H,4H2,1-3H3
InChIKeyWNNHCYDPHPDRQC-UHFFFAOYSA-N
MW670.86 g/mol
LogP10.47
Rot. Bonds6

About 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

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 (PubChem CID 164581217) has the molecular formula C37H27FN6S3 and a molecular weight of 670.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID164581217
Molecular FormulaC37H27FN6S3
Molecular Weight670.86 g/mol
Exact Mass670.14
IUPAC Name6-[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
SMILESCCc1cc(-c2ccc(F)cc2-c2cn3ccsc3n2)c(-c2cn3cc(C)sc3n2)cc1-c1cc(C)ccc1-c1cn2ccsc2n1
InChIInChI=1S/C37H27FN6S3/c1-4-23-14-29(25-8-6-24(38)15-30(25)33-19-43-10-12-46-36(43)40-33)31(34-20-44-17-22(3)47-37(44)41-34)16-27(23)28-13-21(2)5-7-26(28)32-18-42-9-11-45-35(42)39-32/h5-20H,4H2,1-3H3
InChIKeyWNNHCYDPHPDRQC-UHFFFAOYSA-N
XLogP10.47
TPSA51.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.86
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

6-(4-Fluorophenyl)-2-(4-methylbenzyl)imidazo[2,1-b][1,3]thiazole
CID 15991408
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-phenylethanamine
CID 142505435
N2,N4-bis[(E)-[4-(7-methylimidazo[2,1-b]thiazol-6-yl)phenyl]methyleneamino]pyrimidine-2,4-diamine
CID 9573915
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
N'-[(E)-[4-(7-methylimidazo[2,1-b][1,3]thiazol-4-ium-6-yl)phenyl]methylideneamino]pyrrolidine-1-carboximidamide;bromide;hydrobromide
CID 53321717
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
Thiazolium, 3-methyl-2-(2-(6-phenylimidazo(2,1-b)thiazol-5-yl)diazenyl)-, (T-4)-tetrachlorozincate(2-) (2:1)
CID 136086464
2-(2,3-Difluoro-4-nonylphenyl)-6-(4-heptylphenyl)imidazo[2,1-b][1,3]thiazole
CID 70110377
6-(2,3-Difluoro-4-heptylphenyl)-2-(4-nonylphenyl)imidazo[2,1-b][1,3]thiazole
CID 70110876
6-[2-(2,3-Difluoro-4-nonylphenyl)phenyl]-2-heptylimidazo[2,1-b][1,3]thiazole
CID 70111408

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(-c2ccc(F)cc2-c2cn3ccsc3n2)c(-c2cn3cc(C)sc3n2)cc1-c1cc(C)ccc1-c1cn2ccsc2n1.
What is the InChIKey of 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?
The InChIKey is WNNHCYDPHPDRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27FN6S3/c1-4-23-14-29(25-8-6-24(38)15-30(25)33-19-43-10-12-46-36(43)40-33)31(34-20-44-17-22(3)47-37(44)41-34)16-27(23)28-13-21(2)5-7-26(28)32-18-42-9-11-45-35(42)39-32/h5-20H,4H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 670.86 g/mol, XLogP of 10.47, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164581217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).