N-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide

C16H13F3N2O3S — CID 89005893

IUPACN-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide
SMILESO=C(CC1c2cc(OC(F)(F)F)ccc2SN1c1ccccc1)NO
InChIInChI=1S/C16H13F3N2O3S/c17-16(18,19)24-11-6-7-14-12(8-11)13(9-15(22)20-23)21(25-14)10-4-2-1-3-5-10/h1-8,13,23H,9H2,(H,20,22)
InChIKeyOHSKKFMHUABSNR-UHFFFAOYSA-N
MW370.35 g/mol
LogP4.05
Rot. Bonds4

About N-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide

N-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide (PubChem CID 89005893) has the molecular formula C16H13F3N2O3S and a molecular weight of 370.35 g/mol. Its IUPAC name is N-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide
PubChem CID89005893
Molecular FormulaC16H13F3N2O3S
Molecular Weight370.35 g/mol
Exact Mass370.06
IUPAC NameN-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide
SMILESO=C(CC1c2cc(OC(F)(F)F)ccc2SN1c1ccccc1)NO
InChIInChI=1S/C16H13F3N2O3S/c17-16(18,19)24-11-6-7-14-12(8-11)13(9-15(22)20-23)21(25-14)10-4-2-1-3-5-10/h1-8,13,23H,9H2,(H,20,22)
InChIKeyOHSKKFMHUABSNR-UHFFFAOYSA-N
XLogP4.05
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1,1-dioxo-2-[3-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide
CID 25115633
2-[1,1-dioxo-2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide
CID 25115866
2-[1,1-dioxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide
CID 25116323
2-[2-[4-(2-fluoroethoxy)phenyl]-1,1-dioxo-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide
CID 88259610
N-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide
CID 89005870
N-hydroxy-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide
CID 89005981
2-[1,1-dioxo-2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]-N-hydroxyacetamide
CID 140557854
N-hydroxy-2-[1-oxo-2-[4-(2,2,2-trifluoroethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide
CID 145516995
5-[[3-(Difluoromethoxy)phenyl]methylamino]sulfanyl-1,3-dihydroindol-2-one
CID 162524947
4-(3-oxo-1,2-benzothiazol-2(3H)-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 45493480
N-hydroxy-2-(5-methoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)acetamide
CID 25113848
2-(5,7-dimethoxy-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-yl)-N-hydroxyacetamide
CID 25114074

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide?
The IUPAC name of N-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide (CID 89005893) is N-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide is O=C(CC1c2cc(OC(F)(F)F)ccc2SN1c1ccccc1)NO.
What is the InChIKey of N-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide?
The InChIKey is OHSKKFMHUABSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3S/c17-16(18,19)24-11-6-7-14-12(8-11)13(9-15(22)20-23)21(25-14)10-4-2-1-3-5-10/h1-8,13,23H,9H2,(H,20,22).
What are the key properties of N-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide?
N-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide has a molecular weight of 370.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-phenyl-5-(trifluoromethoxy)-3H-1,2-benzothiazol-3-yl]acetamide is sourced from PubChem (CID 89005893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).