N-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide

C17H21N3O2S — CID 46328628

IUPACN-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide
SMILESCC(=O)Nc1nc2cc(NC(=O)CCC3CCCC3)ccc2s1
InChIInChI=1S/C17H21N3O2S/c1-11(21)18-17-20-14-10-13(7-8-15(14)23-17)19-16(22)9-6-12-4-2-3-5-12/h7-8,10,12H,2-6,9H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyQFLJJKVZSXPZCS-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.16
Rot. Bonds5

About N-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide

N-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide (PubChem CID 46328628) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide
PubChem CID46328628
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide
SMILESCC(=O)Nc1nc2cc(NC(=O)CCC3CCCC3)ccc2s1
InChIInChI=1S/C17H21N3O2S/c1-11(21)18-17-20-14-10-13(7-8-15(14)23-17)19-16(22)9-6-12-4-2-3-5-12/h7-8,10,12H,2-6,9H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyQFLJJKVZSXPZCS-UHFFFAOYSA-N
XLogP4.16
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-6-yl)-2-cyclohexylacetamide
CID 46290973
N-[5-(cyclohexylcarbamoylamino)-1,3-benzothiazol-2-yl]acetamide
CID 46385341
N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride
CID 146057643
N-(6-bromo-1,3-benzothiazol-2-yl)-3-cyclohexylpropanamide
CID 5176965
3-cyclohexyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 1222303
3-cyclohexyl-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide
CID 4129775
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46328736
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
3-cyclohexyl-N-(9-oxothioxanthen-2-yl)propanamide
CID 4918578
N-[5-(butanoylamino)-1,3-benzothiazol-2-yl]-4-methylbenzamide
CID 46328837

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide (CID 46328628) is N-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide is CC(=O)Nc1nc2cc(NC(=O)CCC3CCCC3)ccc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide?
The InChIKey is QFLJJKVZSXPZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11(21)18-17-20-14-10-13(7-8-15(14)23-17)19-16(22)9-6-12-4-2-3-5-12/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-5-yl)-3-cyclopentylpropanamide?
N-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide has a molecular weight of 331.44 g/mol, XLogP of 4.16, 5 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-5-yl)-3-cyclopentylpropanamide is sourced from PubChem (CID 46328628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).