N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide

C17H15FN2OS — CID 7597284

IUPACN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCc1ccc2sc(NC(=O)Cc3ccc(F)cc3)nc2c1C
InChIInChI=1S/C17H15FN2OS/c1-10-3-8-14-16(11(10)2)20-17(22-14)19-15(21)9-12-4-6-13(18)7-5-12/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyYTMMYWZCAMHIFY-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.23
Rot. Bonds3

About N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 7597284) has the molecular formula C17H15FN2OS and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
PubChem CID7597284
Molecular FormulaC17H15FN2OS
Molecular Weight314.38 g/mol
Exact Mass314.09
IUPAC NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCc1ccc2sc(NC(=O)Cc3ccc(F)cc3)nc2c1C
InChIInChI=1S/C17H15FN2OS/c1-10-3-8-14-16(11(10)2)20-17(22-14)19-15(21)9-12-4-6-13(18)7-5-12/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKeyYTMMYWZCAMHIFY-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.23
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-methoxyphenyl)acetamide
CID 8719026
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597144
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 19210112
N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-fluorobenzohydrazide
CID 4248363
N'-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanylpropanehydrazide
CID 7600262
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 735318
2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 93206259
2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 3329681
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254392
1-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)urea
CID 121080705

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide (CID 7597284) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide is Cc1ccc2sc(NC(=O)Cc3ccc(F)cc3)nc2c1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is YTMMYWZCAMHIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-10-3-8-14-16(11(10)2)20-17(22-14)19-15(21)9-12-4-6-13(18)7-5-12/h3-8H,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide?
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 314.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7597284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).