N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide

C17H21N3O2S — CID 46290973

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)CC3CCCCC3)cc2s1
InChIInChI=1S/C17H21N3O2S/c1-11(21)18-17-20-14-8-7-13(10-15(14)23-17)19-16(22)9-12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyAFTHHIWMCNLXDK-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.16
Rot. Bonds4

About N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide

N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide (PubChem CID 46290973) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide
PubChem CID46290973
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)CC3CCCCC3)cc2s1
InChIInChI=1S/C17H21N3O2S/c1-11(21)18-17-20-14-8-7-13(10-15(14)23-17)19-16(22)9-12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyAFTHHIWMCNLXDK-UHFFFAOYSA-N
XLogP4.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide
CID 46328628
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168521756
2-cyclohexyl-N-[6-(4-methylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]acetamide
CID 108766079
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(1-adamantyl)acetamide
CID 3981360
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-[(4-methylcyclohexyl)sulfamoyl]acetamide
CID 56540115
2-cyclohexyl-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide
CID 43989525
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(6-acetamido-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 119277660
N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide
CID 5176965
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
CID 55769442
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64617382

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide (CID 46290973) is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide is CC(=O)Nc1nc2ccc(NC(=O)CC3CCCCC3)cc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide?
The InChIKey is AFTHHIWMCNLXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11(21)18-17-20-14-8-7-13(10-15(14)23-17)19-16(22)9-12-5-3-2-4-6-12/h7-8,10,12H,2-6,9H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide?
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide has a molecular weight of 331.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyclohexylacetamide is sourced from PubChem (CID 46290973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).