N-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide

C16H13F3N2O3S — CID 89005870

IUPACN-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide
SMILESO=C(CC1c2ccccc2SN1c1ccc(OC(F)(F)F)cc1)NO
InChIInChI=1S/C16H13F3N2O3S/c17-16(18,19)24-11-7-5-10(6-8-11)21-13(9-15(22)20-23)12-3-1-2-4-14(12)25-21/h1-8,13,23H,9H2,(H,20,22)
InChIKeyGSKBWFUIAHSBGP-UHFFFAOYSA-N
MW370.35 g/mol
LogP4.05
Rot. Bonds4

About N-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide

N-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide (PubChem CID 89005870) has the molecular formula C16H13F3N2O3S and a molecular weight of 370.35 g/mol. Its IUPAC name is N-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide
PubChem CID89005870
Molecular FormulaC16H13F3N2O3S
Molecular Weight370.35 g/mol
Exact Mass370.06
IUPAC NameN-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide
SMILESO=C(CC1c2ccccc2SN1c1ccc(OC(F)(F)F)cc1)NO
InChIInChI=1S/C16H13F3N2O3S/c17-16(18,19)24-11-7-5-10(6-8-11)21-13(9-15(22)20-23)12-3-1-2-4-14(12)25-21/h1-8,13,23H,9H2,(H,20,22)
InChIKeyGSKBWFUIAHSBGP-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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide?
The IUPAC name of N-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide (CID 89005870) is N-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide is O=C(CC1c2ccccc2SN1c1ccc(OC(F)(F)F)cc1)NO.
What is the InChIKey of N-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide?
The InChIKey is GSKBWFUIAHSBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3S/c17-16(18,19)24-11-7-5-10(6-8-11)21-13(9-15(22)20-23)12-3-1-2-4-14(12)25-21/h1-8,13,23H,9H2,(H,20,22).
What are the key properties of N-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide?
N-hydroxy-2-[2-[4-(trifluoromethoxy)phenyl]-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-[4-(trifluoromethoxy)phenyl]-3H-1,2-benzothiazol-3-yl]acetamide is sourced from PubChem (CID 89005870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).