5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole

C14H9F2NOS — CID 11514632

IUPAC5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole
SMILESCOc1ccc(-c2nc3cc(F)ccc3s2)cc1F
InChIInChI=1S/C14H9F2NOS/c1-18-12-4-2-8(6-10(12)16)14-17-11-7-9(15)3-5-13(11)19-14/h2-7H,1H3
InChIKeyAKYOAPWAMYKBLL-UHFFFAOYSA-N
MW277.30 g/mol
LogP4.25
Rot. Bonds2

About 5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole

5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole (PubChem CID 11514632) has the molecular formula C14H9F2NOS and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole
PubChem CID11514632
Molecular FormulaC14H9F2NOS
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole
SMILESCOc1ccc(-c2nc3cc(F)ccc3s2)cc1F
InChIInChI=1S/C14H9F2NOS/c1-18-12-4-2-8(6-10(12)16)14-17-11-7-9(15)3-5-13(11)19-14/h2-7H,1H3
InChIKeyAKYOAPWAMYKBLL-UHFFFAOYSA-N
XLogP4.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(3,4-dimethoxyphenyl)-1,3-benzothiazole
CID 11659503
2-fluoro-4-(5-fluoro-1,3-benzothiazol-2-yl)-6-methylaniline
CID 134517914
2-(5-fluoro-1,3-benzothiazol-2-yl)-4,5-dimethoxyaniline
CID 43305621
2-[4-(diethoxyphosphorylmethyl)-3-fluorophenyl]-5-fluoro-1,3-benzothiazole
CID 14545510
5-(5-bromo-1,3-benzothiazol-2-yl)-2-methoxyphenol
CID 112730271
2,6-dichloro-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline
CID 82830356
2-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-1,3-benzothiazole
CID 7919383
2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-benzothiazole
CID 2974783
5-(1,3-benzothiazol-2-yl)-2-methoxyphenol
CID 161368549
5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 106262047
2-(3-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 59576625
5-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxyaniline
CID 79527850

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole?
The IUPAC name of 5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole (CID 11514632) is 5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole.
What is the SMILES notation for 5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole?
The canonical SMILES for 5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole is COc1ccc(-c2nc3cc(F)ccc3s2)cc1F.
What is the InChIKey of 5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole?
The InChIKey is AKYOAPWAMYKBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NOS/c1-18-12-4-2-8(6-10(12)16)14-17-11-7-9(15)3-5-13(11)19-14/h2-7H,1H3.
What are the key properties of 5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole?
5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole has a molecular weight of 277.30 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-fluoro-4-methoxyphenyl)-1,3-benzothiazole is sourced from PubChem (CID 11514632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).