2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide

C18H18FN3OS — CID 90605786

IUPAC2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)c1nc2c(F)cccc2s1
InChIInChI=1S/C18H18FN3OS/c1-22(18-21-17-14(19)8-5-9-15(17)24-18)12-16(23)20-11-10-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyRJPWXYFRNMHHTP-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.23
Rot. Bonds6

About 2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide

2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide (PubChem CID 90605786) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide
PubChem CID90605786
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC Name2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)c1nc2c(F)cccc2s1
InChIInChI=1S/C18H18FN3OS/c1-22(18-21-17-14(19)8-5-9-15(17)24-18)12-16(23)20-11-10-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyRJPWXYFRNMHHTP-UHFFFAOYSA-N
XLogP3.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide
CID 90605583
N-[(2-chlorophenyl)methyl]-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90605775
N-[2-(3-methoxyphenyl)ethyl]-2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]acetamide
CID 71790439
N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90605846
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 90605772
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-methoxy-N-methylacetamide
CID 90605927
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(4-methylsulfonylphenyl)acetamide
CID 90605928
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-oxothiolan-3-yl)acetamide
CID 90605895
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 41109949
N-(2,5-dimethoxyphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90605850
2-[(4-chloro-1,3-benzothiazol-2-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71790414
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(3-methylbutyl)acetamide
CID 90605563

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide (CID 90605786) is 2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide is CN(CC(=O)NCCc1ccccc1)c1nc2c(F)cccc2s1.
What is the InChIKey of 2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is RJPWXYFRNMHHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-22(18-21-17-14(19)8-5-9-15(17)24-18)12-16(23)20-11-10-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,20,23).
What are the key properties of 2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide?
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 343.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 90605786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).