N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride

C19H26ClN3O2S — CID 146057643

IUPACN-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCCCCC(=O)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1.Cl
InChIInChI=1S/C19H25N3O2S.ClH/c1-2-3-9-17(23)20-14-10-11-16-15(12-14)21-19(25-16)22-18(24)13-7-5-4-6-8-13;/h10-13H,2-9H2,1H3,(H,20,23)(H,21,22,24);1H
InChIKeyAXBSSJWUMGPERX-UHFFFAOYSA-N
MW395.96 g/mol
LogP5.37
Rot. Bonds6

About N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride

N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride (PubChem CID 146057643) has the molecular formula C19H26ClN3O2S and a molecular weight of 395.96 g/mol. Its IUPAC name is N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride
PubChem CID146057643
Molecular FormulaC19H26ClN3O2S
Molecular Weight395.96 g/mol
Exact Mass395.14
IUPAC NameN-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride
SMILESCCCCC(=O)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1.Cl
InChIInChI=1S/C19H25N3O2S.ClH/c1-2-3-9-17(23)20-14-10-11-16-15(12-14)21-19(25-16)22-18(24)13-7-5-4-6-8-13;/h10-13H,2-9H2,1H3,(H,20,23)(H,21,22,24);1H
InChIKeyAXBSSJWUMGPERX-UHFFFAOYSA-N
XLogP5.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.96
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-phenoxyacetyl)amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46328736
N-[5-[[2-(3,4-diethoxyphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46328732
N-[5-[(3,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46385413
4-methyl-N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]benzamide
CID 46328836
N-(2-acetamido-1,3-benzothiazol-5-yl)-3-cyclopentylpropanamide
CID 46328628
N-[5-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 20971949
N-[5-[(3,5-dimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46385432
N-[5-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 46385418
N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]pyridine-2-carboxamide
CID 46328705
3-chloro-N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-5-yl]benzamide
CID 46328690
N-[5-(oxolan-2-ylmethylcarbamoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 20973278
N-[5-[[(2S)-2-phenoxypropanoyl]amino]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 92870639

Frequently Asked Questions

What is the IUPAC name of N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride?
The IUPAC name of N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride (CID 146057643) is N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride.
What is the SMILES notation for N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride?
The canonical SMILES for N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride is CCCCC(=O)Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1.Cl.
What is the InChIKey of N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride?
The InChIKey is AXBSSJWUMGPERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S.ClH/c1-2-3-9-17(23)20-14-10-11-16-15(12-14)21-19(25-16)22-18(24)13-7-5-4-6-8-13;/h10-13H,2-9H2,1H3,(H,20,23)(H,21,22,24);1H.
What are the key properties of N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride?
N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride has a molecular weight of 395.96 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(pentanoylamino)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide;hydrochloride is sourced from PubChem (CID 146057643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).