N-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide

C11H12N2O2S2 — CID 54482577

IUPACN-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide
SMILESCC(=O)N(CCO)Sc1nc2ccccc2s1
InChIInChI=1S/C11H12N2O2S2/c1-8(15)13(6-7-14)17-11-12-9-4-2-3-5-10(9)16-11/h2-5,14H,6-7H2,1H3
InChIKeyXQBLWDVXHVECMK-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.14
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide

N-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide (PubChem CID 54482577) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide
PubChem CID54482577
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC NameN-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide
SMILESCC(=O)N(CCO)Sc1nc2ccccc2s1
InChIInChI=1S/C11H12N2O2S2/c1-8(15)13(6-7-14)17-11-12-9-4-2-3-5-10(9)16-11/h2-5,14H,6-7H2,1H3
InChIKeyXQBLWDVXHVECMK-UHFFFAOYSA-N
XLogP2.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-(methylamino)-3-oxopropanoic acid;2-[bis(2-hydroxyethyl)amino]ethanol
CID 173401970
N-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 45077506
2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole;2-methylprop-2-enoic acid
CID 175321110
6-(1,3-benzothiazol-2-ylsulfanyl)hexan-2-one
CID 43793990
S-(1,3-benzothiazol-2-yl) 2-aminoethanethioate
CID 141289258
calcium 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
CID 54604872
1,3-benzothiazol-2-ylsulfanylmethanethiol
CID 18616061
2-(1,3-benzothiazol-2-ylsulfanyl)-2,2-difluoroacetic acid
CID 81218211
3-(1,3-benzothiazol-2-ylsulfanyl)-2,2-dimethylpropanoic acid
CID 79622108
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766
2-(1,3-benzothiazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide
CID 43853387
N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide (CID 54482577) is N-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide is CC(=O)N(CCO)Sc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide?
The InChIKey is XQBLWDVXHVECMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-8(15)13(6-7-14)17-11-12-9-4-2-3-5-10(9)16-11/h2-5,14H,6-7H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide?
N-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 54482577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).