N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide

C18H17FN2O2S — CID 68558882

IUPACN-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide
SMILESCCCOc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1F
InChIInChI=1S/C18H17FN2O2S/c1-2-8-23-15-5-3-4-12(18(15)19)9-17(22)21-13-6-7-14-16(10-13)24-11-20-14/h3-7,10-11H,2,8-9H2,1H3,(H,21,22)
InChIKeyMEMVHHZOHANHAZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.41
Rot. Bonds6

About N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide

N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide (PubChem CID 68558882) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide
PubChem CID68558882
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC NameN-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide
SMILESCCCOc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1F
InChIInChI=1S/C18H17FN2O2S/c1-2-8-23-15-5-3-4-12(18(15)19)9-17(22)21-13-6-7-14-16(10-13)24-11-20-14/h3-7,10-11H,2,8-9H2,1H3,(H,21,22)
InChIKeyMEMVHHZOHANHAZ-UHFFFAOYSA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-6-yl)-2-[2-fluoro-3-[(E)-hept-3-enoxy]phenyl]acetamide
CID 68562053
N-(1,3-benzothiazol-6-yl)-2-[3-[tert-butyl(dimethyl)silyl]oxy-2-fluorophenyl]acetamide
CID 68558974
N-(1,3-benzothiazol-6-yl)-2-(3-propoxyphenyl)acetamide
CID 68556665
N-[(2-fluoro-3-oct-4-enoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 91598374
N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 24643722
N-(1,3-benzothiazol-6-yl)-2-(2,4-dimethylphenyl)acetamide
CID 41085216
N-(1,3-benzothiazol-6-yl)-2-(3-hex-2-ynoxyphenyl)acetamide
CID 91389846
N-(1,3-benzothiazol-6-yl)-2-(3-ethenylphenyl)acetamide
CID 91356894
2-amino-N-(1,3-benzothiazol-6-yl)-6-methoxybenzamide
CID 107802446
N-[(2-fluoro-3-oct-6-enoxyphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 90736257
N-(1,3-benzothiazol-6-yl)-2-bromobutanamide
CID 107804110
N-[[2-fluoro-3-(3-methylbut-2-enoxy)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 59192156

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide (CID 68558882) is N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide is CCCOc1cccc(CC(=O)Nc2ccc3ncsc3c2)c1F.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide?
The InChIKey is MEMVHHZOHANHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-2-8-23-15-5-3-4-12(18(15)19)9-17(22)21-13-6-7-14-16(10-13)24-11-20-14/h3-7,10-11H,2,8-9H2,1H3,(H,21,22).
What are the key properties of N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide?
N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide has a molecular weight of 344.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2-(2-fluoro-3-propoxyphenyl)acetamide is sourced from PubChem (CID 68558882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).