N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide

C14H15ClN2OS — CID 43989202

IUPACN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
SMILESCc1cc(Cl)cc2sc(NC(=O)C3CCCC3)nc12
InChIInChI=1S/C14H15ClN2OS/c1-8-6-10(15)7-11-12(8)16-14(19-11)17-13(18)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,16,17,18)
InChIKeyNPRXBNHDIIWCKH-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.39
Rot. Bonds2

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide (PubChem CID 43989202) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
PubChem CID43989202
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
SMILESCc1cc(Cl)cc2sc(NC(=O)C3CCCC3)nc12
InChIInChI=1S/C14H15ClN2OS/c1-8-6-10(15)7-11-12(8)16-14(19-11)17-13(18)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,16,17,18)
InChIKeyNPRXBNHDIIWCKH-UHFFFAOYSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 42387615
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828461
1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
CID 47193596
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18560797
(2R)-2-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 28662156
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
5-bromo-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 3438297
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775960
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide
CID 167636148
2-(4-chlorophenyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 139582805
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide
CID 7254759

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide (CID 43989202) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide is Cc1cc(Cl)cc2sc(NC(=O)C3CCCC3)nc12.
What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The InChIKey is NPRXBNHDIIWCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-8-6-10(15)7-11-12(8)16-14(19-11)17-13(18)9-4-2-3-5-9/h6-7,9H,2-5H2,1H3,(H,16,17,18).
What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide has a molecular weight of 294.81 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 43989202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).