N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten

C12H13N2OSW- — CID 59896475

IUPACN-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten
SMILESC[CH-]Cc1ccc2nc(NC(C)=O)sc2c1.[W]
InChIInChI=1S/C12H13N2OS.W/c1-3-4-9-5-6-10-11(7-9)16-12(14-10)13-8(2)15;/h3,5-7H,4H2,1-2H3,(H,13,14,15);/q-1;
InChIKeyOWJGCBZWWJEQHR-UHFFFAOYSA-N
MW417.16 g/mol
LogP3.02
Rot. Bonds3

About N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten

N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten (PubChem CID 59896475) has the molecular formula C12H13N2OSW- and a molecular weight of 417.16 g/mol. Its IUPAC name is N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten.

Molecular Properties

Compound NameN-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten
PubChem CID59896475
Molecular FormulaC12H13N2OSW-
Molecular Weight417.16 g/mol
Exact Mass417.03
IUPAC NameN-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten
SMILESC[CH-]Cc1ccc2nc(NC(C)=O)sc2c1.[W]
InChIInChI=1S/C12H13N2OS.W/c1-3-4-9-5-6-10-11(7-9)16-12(14-10)13-8(2)15;/h3,5-7H,4H2,1-2H3,(H,13,14,15);/q-1;
InChIKeyOWJGCBZWWJEQHR-UHFFFAOYSA-N
XLogP3.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.16
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide
CID 46289632
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 46289672
2-[2-(propanoylamino)-1,3-benzothiazol-6-yl]acetic acid
CID 29247510
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 92719568
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide
CID 46289391
2-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-(6-azido-1,3-benzothiazol-2-yl)acetamide
CID 151985383
N-[6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-1,3-benzothiazol-2-yl]acetamide
CID 46289401
2-[2-(2-methylpropanoylamino)-1,3-benzothiazol-6-yl]acetic acid
CID 29247596
2-(2-acetamido-1,3-thiazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16820226
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
CID 55769442

Frequently Asked Questions

What is the IUPAC name of N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten?
The IUPAC name of N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten (CID 59896475) is N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten.
What is the SMILES notation for N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten?
The canonical SMILES for N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten is C[CH-]Cc1ccc2nc(NC(C)=O)sc2c1.[W].
What is the InChIKey of N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten?
The InChIKey is OWJGCBZWWJEQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2OS.W/c1-3-4-9-5-6-10-11(7-9)16-12(14-10)13-8(2)15;/h3,5-7H,4H2,1-2H3,(H,13,14,15);/q-1;.
What are the key properties of N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten?
N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten has a molecular weight of 417.16 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten is sourced from PubChem (CID 59896475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).