N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine

C16H11FN4O2S — CID 3242011

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1
InChIInChI=1S/C16H11FN4O2S/c1-22-10-5-2-4-9(8-10)14-20-21-15(23-14)19-16-18-13-11(17)6-3-7-12(13)24-16/h2-8H,1H3,(H,18,19,21)
InChIKeyYZNJDEFKEOAFGO-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.24
Rot. Bonds4

About N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine

N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 3242011) has the molecular formula C16H11FN4O2S and a molecular weight of 342.36 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID3242011
Molecular FormulaC16H11FN4O2S
Molecular Weight342.36 g/mol
Exact Mass342.06
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1
InChIInChI=1S/C16H11FN4O2S/c1-22-10-5-2-4-9(8-10)14-20-21-15(23-14)19-16-18-13-11(17)6-3-7-12(13)24-16/h2-8H,1H3,(H,18,19,21)
InChIKeyYZNJDEFKEOAFGO-UHFFFAOYSA-N
XLogP4.24
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3,5-dimethoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 8545174
4-fluoro-N-[5-(3-methoxyphenyl)thiophen-2-yl]-1,3-benzothiazol-2-amine
CID 73386815
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 6622265
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 43968759
5-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 7110023
4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazol-2-amine
CID 90078532
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 73387508
N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 7513182
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine
CID 43968743
N-tert-butyl-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 110456066
N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide
CID 137424728
N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]benzamide
CID 137425209

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 3242011) is N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine is COc1cccc(-c2nnc(Nc3nc4c(F)cccc4s3)o2)c1.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is YZNJDEFKEOAFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2S/c1-22-10-5-2-4-9(8-10)14-20-21-15(23-14)19-16-18-13-11(17)6-3-7-12(13)24-16/h2-8H,1H3,(H,18,19,21).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine?
N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 342.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 3242011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).