N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide

C14H16N2O2S — CID 43952131

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
SMILESCOc1cccc2sc(NC(=O)C3CCCC3)nc12
InChIInChI=1S/C14H16N2O2S/c1-18-10-7-4-8-11-12(10)15-14(19-11)16-13(17)9-5-2-3-6-9/h4,7-9H,2-3,5-6H2,1H3,(H,15,16,17)
InChIKeyJRYRLTZEKLBNTF-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.43
Rot. Bonds3

About N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide

N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide (PubChem CID 43952131) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
PubChem CID43952131
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
SMILESCOc1cccc2sc(NC(=O)C3CCCC3)nc12
InChIInChI=1S/C14H16N2O2S/c1-18-10-7-4-8-11-12(10)15-14(19-11)16-13(17)9-5-2-3-6-9/h4,7-9H,2-3,5-6H2,1H3,(H,15,16,17)
InChIKeyJRYRLTZEKLBNTF-UHFFFAOYSA-N
XLogP3.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119271366
1-(2,2-dimethylpropanoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 51284534
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N-(4-methoxy-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16829090
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43994655
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 2150738
1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide
CID 56808850
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 31892479
N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 31892224
1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 31892415
3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 24627533

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide (CID 43952131) is N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide is COc1cccc2sc(NC(=O)C3CCCC3)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The InChIKey is JRYRLTZEKLBNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-18-10-7-4-8-11-12(10)15-14(19-11)16-13(17)9-5-2-3-6-9/h4,7-9H,2-3,5-6H2,1H3,(H,15,16,17).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide has a molecular weight of 276.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 43952131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).