2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide

C10H10N2O2S2 — CID 15005946

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide
SMILESCN(O)C(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C10H10N2O2S2/c1-12(14)9(13)6-15-10-11-7-4-2-3-5-8(7)16-10/h2-5,14H,6H2,1H3
InChIKeyNUJRZUSFQGICID-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.24
Rot. Bonds3

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide (PubChem CID 15005946) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide
PubChem CID15005946
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide
SMILESCN(O)C(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C10H10N2O2S2/c1-12(14)9(13)6-15-10-11-7-4-2-3-5-8(7)16-10/h2-5,14H,6H2,1H3
InChIKeyNUJRZUSFQGICID-UHFFFAOYSA-N
XLogP2.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-(Thiocyanomethylthio)benzothiazole
CID 30692
2-(Methylthio)benzothiazole
CID 11989
2-Benzothiazolyl diethyldithiocarbamate
CID 7229
2-(2-Benzothiazolylthio)acetic acid
CID 80525
N,N-Diisopropyl-2-benzothiazolesulfenamide
CID 7228
3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid
CID 162569
1,3-Bis(1,3-benzothiazol-2-ylsulfanyl)propan-2-one
CID 1240423
2-Prop-2-enylsulfonyl-1,3-benzothiazole
CID 701066
2-(Methylsulfonyl)benzothiazole
CID 242777
3-(1,3-Benzothiazol-2-ylsulfanyl)propanoic acid
CID 224561
1-(Benzthiazol-2-ylthio)-propan-2-one
CID 252398
2-(Ethyldisulfanyl)-1,3-benzothiazole
CID 21292518

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide (CID 15005946) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide is CN(O)C(=O)CSc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide?
The InChIKey is NUJRZUSFQGICID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-12(14)9(13)6-15-10-11-7-4-2-3-5-8(7)16-10/h2-5,14H,6H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide has a molecular weight of 254.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-hydroxy-N-methylacetamide is sourced from PubChem (CID 15005946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).