2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

C16H13FN2OS — CID 2640845

IUPAC2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cccc2sc(NC(=O)Cc3ccc(F)cc3)nc12
InChIInChI=1S/C16H13FN2OS/c1-10-3-2-4-13-15(10)19-16(21-13)18-14(20)9-11-5-7-12(17)8-6-11/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyGRYMMCHYABDSDB-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.93
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide

2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2640845) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID2640845
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cccc2sc(NC(=O)Cc3ccc(F)cc3)nc12
InChIInChI=1S/C16H13FN2OS/c1-10-3-2-4-13-15(10)19-16(21-13)18-14(20)9-11-5-7-12(17)8-6-11/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyGRYMMCHYABDSDB-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597284
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597144
2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41145754
2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848036
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100
2-(1H-indol-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2114847
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
2-(4-methoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 8719256
2-(3-fluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51185209
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 29499309
N-(4-methyl-1,3-benzothiazol-2-yl)octanamide
CID 42733003
2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 34555190

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (CID 2640845) is 2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1cccc2sc(NC(=O)Cc3ccc(F)cc3)nc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is GRYMMCHYABDSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-10-3-2-4-13-15(10)19-16(21-13)18-14(20)9-11-5-7-12(17)8-6-11/h2-8H,9H2,1H3,(H,18,19,20).
What are the key properties of 2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2640845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).