2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide

C15H12N2O2S — CID 87443913

IUPAC2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide
SMILESO=C(NO)C(c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C15H12N2O2S/c18-14(17-19)13(10-6-2-1-3-7-10)15-16-11-8-4-5-9-12(11)20-15/h1-9,13,19H,(H,17,18)
InChIKeyNVESWVXYZXBFLG-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.93
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide

2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide (PubChem CID 87443913) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide
PubChem CID87443913
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide
SMILESO=C(NO)C(c1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C15H12N2O2S/c18-14(17-19)13(10-6-2-1-3-7-10)15-16-11-8-4-5-9-12(11)20-15/h1-9,13,19H,(H,17,18)
InChIKeyNVESWVXYZXBFLG-UHFFFAOYSA-N
XLogP2.93
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-(3,3-diphenylpropyl)-2,3-dihydroxypropanamide
CID 112797370
(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-prop-2-ynylacetamide
CID 100683219
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 94044935
methyl 2-(1,3-benzothiazol-2-yl)-2-hydroxyacetate
CID 45077460
dipropan-2-yl 2-(1,3-benzothiazol-2-yl)propanedioate
CID 44721597
3-[2-[2,2-bis(1,3-benzothiazol-2-yl)ethyl]phenyl]-3-oxopropanoic acid
CID 101193863
3-(1,3-benzothiazol-2-yl)-N-benzyl-2,3-dihydroxypropanamide
CID 110879660
(2S)-2-amino-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-methylbutanamide
CID 18664320
[1,3-benzothiazol-2-yl(phenyl)methoxy]-trimethylsilane
CID 13485204
1,3-benzothiazol-2-yl-[[1,3-benzothiazol-2-yl(sulfo)methyl]carbamoylamino]methanesulfonic acid
CID 174961880
(2R)-2-(1,3-benzothiazol-2-yl)-2-cyano-N-pyridin-4-ylacetamide
CID 94817456
2-[1-(1,3-benzothiazol-2-yl)ethylamino]oxyacetamide
CID 112672683

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide (CID 87443913) is 2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide is O=C(NO)C(c1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide?
The InChIKey is NVESWVXYZXBFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-14(17-19)13(10-6-2-1-3-7-10)15-16-11-8-4-5-9-12(11)20-15/h1-9,13,19H,(H,17,18).
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide?
2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide has a molecular weight of 284.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N-hydroxy-2-phenylacetamide is sourced from PubChem (CID 87443913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).