N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide

C9H4ClF3N2OS — CID 4099366

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)C(F)(F)F
InChIInChI=1S/C9H4ClF3N2OS/c10-4-1-2-5-6(3-4)17-8(14-5)15-7(16)9(11,12)13/h1-3H,(H,14,15,16)
InChIKeyUUCZMFLHBYBRHN-UHFFFAOYSA-N
MW280.66 g/mol
LogP3.45
Rot. Bonds1

About N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 4099366) has the molecular formula C9H4ClF3N2OS and a molecular weight of 280.66 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
PubChem CID4099366
Molecular FormulaC9H4ClF3N2OS
Molecular Weight280.66 g/mol
Exact Mass279.97
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)C(F)(F)F
InChIInChI=1S/C9H4ClF3N2OS/c10-4-1-2-5-6(3-4)17-8(14-5)15-7(16)9(11,12)13/h1-3H,(H,14,15,16)
InChIKeyUUCZMFLHBYBRHN-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.66
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 91742187
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 79790796
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278880
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107020053
2-tert-butylsulfanyl-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 112794492

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide (CID 4099366) is N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide is O=C(Nc1nc2ccc(Cl)cc2s1)C(F)(F)F.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is UUCZMFLHBYBRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2OS/c10-4-1-2-5-6(3-4)17-8(14-5)15-7(16)9(11,12)13/h1-3H,(H,14,15,16).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 280.66 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 4099366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).