N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide

C9H7N3O2S — CID 91592084

IUPACN-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
SMILESO=NCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C9H7N3O2S/c13-8(5-10-14)12-9-11-6-3-1-2-4-7(6)15-9/h1-4H,5H2,(H,11,12,13)
InChIKeyQCZARZDHNMJGMK-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.00
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide

N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide (PubChem CID 91592084) has the molecular formula C9H7N3O2S and a molecular weight of 221.24 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
PubChem CID91592084
Molecular FormulaC9H7N3O2S
Molecular Weight221.24 g/mol
Exact Mass221.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
SMILESO=NCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C9H7N3O2S/c13-8(5-10-14)12-9-11-6-3-1-2-4-7(6)15-9/h1-4H,5H2,(H,11,12,13)
InChIKeyQCZARZDHNMJGMK-UHFFFAOYSA-N
XLogP2.00
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
CID 79198900
N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide
CID 53439401
N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686532
3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 24699724
5-(1,3-benzothiazol-2-ylamino)-3-methyl-5-oxopentanoic acid
CID 55156366
ethyl 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoate
CID 790147

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide (CID 91592084) is N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide is O=NCC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide?
The InChIKey is QCZARZDHNMJGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S/c13-8(5-10-14)12-9-11-6-3-1-2-4-7(6)15-9/h1-4H,5H2,(H,11,12,13).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide?
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide has a molecular weight of 221.24 g/mol, XLogP of 2.00, 3 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-yl)-2-nitrosoacetamide is sourced from PubChem (CID 91592084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).