N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide

C14H15ClN2O2S — CID 43994655

IUPACN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)C3CCCC3)nc12
InChIInChI=1S/C14H15ClN2O2S/c1-19-10-7-6-9(15)12-11(10)16-14(20-12)17-13(18)8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,16,17,18)
InChIKeyATOKVMKRDHVBKS-UHFFFAOYSA-N
MW310.81 g/mol
LogP4.09
Rot. Bonds3

About N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide (PubChem CID 43994655) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
PubChem CID43994655
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)C3CCCC3)nc12
InChIInChI=1S/C14H15ClN2O2S/c1-19-10-7-6-9(15)12-11(10)16-14(20-12)17-13(18)8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,16,17,18)
InChIKeyATOKVMKRDHVBKS-UHFFFAOYSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 2150738
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082763
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830561
1-benzhydryl-3-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121082762
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7590058
4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41073963
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848238
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide
CID 7590088
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]cyclohexanecarboxamide;hydrochloride
CID 44938736
1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 56592932
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
CID 43994698

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide (CID 43994655) is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide is COc1ccc(Cl)c2sc(NC(=O)C3CCCC3)nc12.
What is the InChIKey of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The InChIKey is ATOKVMKRDHVBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-19-10-7-6-9(15)12-11(10)16-14(20-12)17-13(18)8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,16,17,18).
What are the key properties of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide has a molecular weight of 310.81 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 43994655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).