6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole

C23H16FN3S — CID 118081992

IUPAC6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole
SMILESCc1ccc(-c2cncn2-c2ccc(-c3nc4ccc(F)cc4s3)cc2)cc1
InChIInChI=1S/C23H16FN3S/c1-15-2-4-16(5-3-15)21-13-25-14-27(21)19-9-6-17(7-10-19)23-26-20-11-8-18(24)12-22(20)28-23/h2-14H,1H3
InChIKeyCWYBKRPPCJZMPK-UHFFFAOYSA-N
MW385.47 g/mol
LogP6.26
Rot. Bonds3

About 6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole

6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole (PubChem CID 118081992) has the molecular formula C23H16FN3S and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole
PubChem CID118081992
Molecular FormulaC23H16FN3S
Molecular Weight385.47 g/mol
Exact Mass385.10
IUPAC Name6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole
SMILESCc1ccc(-c2cncn2-c2ccc(-c3nc4ccc(F)cc4s3)cc2)cc1
InChIInChI=1S/C23H16FN3S/c1-15-2-4-16(5-3-15)21-13-25-14-27(21)19-9-6-17(7-10-19)23-26-20-11-8-18(24)12-22(20)28-23/h2-14H,1H3
InChIKeyCWYBKRPPCJZMPK-UHFFFAOYSA-N
XLogP6.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-(3,4-dinitrophenyl)imidazol-1-yl]phenyl]-6-fluoro-1,3-benzothiazole
CID 118085020
[4-[3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]imidazol-4-yl]-3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 118081993
3-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-N-phenylimidazol-4-amine
CID 90146387
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
2-[4-[2-(4-chlorophenyl)-5-methylpyrrol-1-yl]phenyl]-6-fluoro-1,3-benzothiazole
CID 155811236
6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023
2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole
CID 166850337
6-fluoro-2-(3-methyl-5-nitrophenyl)-1,3-benzothiazole
CID 155931260
2-(3,5-dichlorophenyl)-6-fluoro-1,3-benzothiazole
CID 50850016
2-(4-methylphenyl)-[1,3]thiazolo[5,4-c]pyridine
CID 86182025
6-fluoro-2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50850082
2-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 50849830

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole?
The IUPAC name of 6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole (CID 118081992) is 6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole?
The canonical SMILES for 6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole is Cc1ccc(-c2cncn2-c2ccc(-c3nc4ccc(F)cc4s3)cc2)cc1.
What is the InChIKey of 6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole?
The InChIKey is CWYBKRPPCJZMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3S/c1-15-2-4-16(5-3-15)21-13-25-14-27(21)19-9-6-17(7-10-19)23-26-20-11-8-18(24)12-22(20)28-23/h2-14H,1H3.
What are the key properties of 6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole?
6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole has a molecular weight of 385.47 g/mol, XLogP of 6.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-[5-(4-methylphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 118081992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).