1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole

C16H12F2N2OS — CID 45029293

IUPAC1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
SMILESCOc1cccc2c1nc1n2C(c2c(F)cccc2F)SC1
InChIInChI=1S/C16H12F2N2OS/c1-21-12-7-3-6-11-15(12)19-13-8-22-16(20(11)13)14-9(17)4-2-5-10(14)18/h2-7,16H,8H2,1H3
InChIKeySEUYAXYWUQZJLR-UHFFFAOYSA-N
MW318.35 g/mol
LogP4.12
Rot. Bonds2

About 1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole

1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole (PubChem CID 45029293) has the molecular formula C16H12F2N2OS and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
PubChem CID45029293
Molecular FormulaC16H12F2N2OS
Molecular Weight318.35 g/mol
Exact Mass318.06
IUPAC Name1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
SMILESCOc1cccc2c1nc1n2C(c2c(F)cccc2F)SC1
InChIInChI=1S/C16H12F2N2OS/c1-21-12-7-3-6-11-15(12)19-13-8-22-16(20(11)13)14-9(17)4-2-5-10(14)18/h2-7,16H,8H2,1H3
InChIKeySEUYAXYWUQZJLR-UHFFFAOYSA-N
XLogP4.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-6-methoxyphenyl)-3-(6-methyl-2-pyridinyl)-1,3-thiazolidin-4-one
CID 513677
3-(6-bromo-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one
CID 513682
2-(2-fluoro-6-methoxyphenyl)-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 87150934
2-cyclopropyl-1-fluoro-3-methoxybenzene
CID 144811064
4-methoxy-1-methyl-2-(trifluoromethyl)benzimidazole
CID 18316636
5-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-ol
CID 115023393
3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3842250
1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
CID 507354
3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258949
2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile
CID 507394
2-(2-fluoro-6-methoxyphenyl)azetidine
CID 55282434
2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 71521936

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole?
The IUPAC name of 1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole (CID 45029293) is 1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole is COc1cccc2c1nc1n2C(c2c(F)cccc2F)SC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole?
The InChIKey is SEUYAXYWUQZJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2OS/c1-21-12-7-3-6-11-15(12)19-13-8-22-16(20(11)13)14-9(17)4-2-5-10(14)18/h2-7,16H,8H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole?
1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole has a molecular weight of 318.35 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole is sourced from PubChem (CID 45029293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).