2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

C16H11F3N2OS — CID 750103

IUPAC2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)sc2c1
InChIInChI=1S/C16H11F3N2OS/c1-9-2-7-12-13(8-9)23-14(21-12)10-3-5-11(6-4-10)20-15(22)16(17,18)19/h2-8H,1H3,(H,20,22)
InChIKeySGUUFUYIWSZBTI-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.77
Rot. Bonds2

About 2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide

2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (PubChem CID 750103) has the molecular formula C16H11F3N2OS and a molecular weight of 336.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
PubChem CID750103
Molecular FormulaC16H11F3N2OS
Molecular Weight336.34 g/mol
Exact Mass336.05
IUPAC Name2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)sc2c1
InChIInChI=1S/C16H11F3N2OS/c1-9-2-7-12-13(8-9)23-14(21-12)10-3-5-11(6-4-10)20-15(22)16(17,18)19/h2-8H,1H3,(H,20,22)
InChIKeySGUUFUYIWSZBTI-UHFFFAOYSA-N
XLogP4.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(p-Dimethylaminostyryl)benzothiazole
CID 5378081
Thioflavin T
CID 16953
2-(4-Aminophenyl)benzothiazole
CID 234475
2-(4-Aminophenyl)-6-methylbenzothiazole
CID 7087
4-(1,3-Benzothiazol-2-Yl)-2-Methylaniline
CID 384525
4-(1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 95755
2-Phenylbenzothiazole
CID 13439
4-(5-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 396813
Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)-
CID 82450
N-(2-Methyl-6-benzothiazolyl)acetamide
CID 596481
Benzenamine, 4-(2-benzothiazolyl)-2-iodo-
CID 384526
2-Phenyl-benzothiazol-6-ylamine
CID 459117

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide (CID 750103) is 2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is Cc1ccc2nc(-c3ccc(NC(=O)C(F)(F)F)cc3)sc2c1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
The InChIKey is SGUUFUYIWSZBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS/c1-9-2-7-12-13(8-9)23-14(21-12)10-3-5-11(6-4-10)20-15(22)16(17,18)19/h2-8H,1H3,(H,20,22).
What are the key properties of 2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide?
2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide has a molecular weight of 336.34 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 750103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).