2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone

C15H17NO2S — CID 104610095

IUPAC2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone
SMILESCOC1(C(=O)Cc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C15H17NO2S/c1-18-15(8-4-5-9-15)13(17)10-14-16-11-6-2-3-7-12(11)19-14/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyRYUYHHBSLWCTOP-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.37
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone

2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone (PubChem CID 104610095) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone
PubChem CID104610095
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone
SMILESCOC1(C(=O)Cc2nc3ccccc3s2)CCCC1
InChIInChI=1S/C15H17NO2S/c1-18-15(8-4-5-9-15)13(17)10-14-16-11-6-2-3-7-12(11)19-14/h2-3,6-7H,4-5,8-10H2,1H3
InChIKeyRYUYHHBSLWCTOP-UHFFFAOYSA-N
XLogP3.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749606
2-(1,3-benzothiazol-2-yl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569488
2-(1,3-benzothiazol-2-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580546
2-(1,3-benzothiazol-2-yl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568641
1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 43470940
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide
CID 10634351
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119684955
methyl 2-[[2-(1,3-benzothiazol-2-yl)acetyl]amino]-3-phenylpropanoate
CID 58470418
1-(1-methoxycyclobutyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116706920
1-(1,3-benzothiazol-2-yl)-4,4-difluorobutan-2-one
CID 147790284

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone (CID 104610095) is 2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone is COC1(C(=O)Cc2nc3ccccc3s2)CCCC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone?
The InChIKey is RYUYHHBSLWCTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-18-15(8-4-5-9-15)13(17)10-14-16-11-6-2-3-7-12(11)19-14/h2-3,6-7H,4-5,8-10H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone?
2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone has a molecular weight of 275.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(1-methoxycyclopentyl)ethanone is sourced from PubChem (CID 104610095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).