2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine

C14H18N2S — CID 155772629

IUPAC2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1CCCC1c1nc2ccccc2s1
InChIInChI=1S/C14H18N2S/c1-16(2)12-8-5-6-10(12)14-15-11-7-3-4-9-13(11)17-14/h3-4,7,9-10,12H,5-6,8H2,1-2H3
InChIKeySHLHRHOSHOKYPL-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.49
Rot. Bonds2

About 2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine

2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine (PubChem CID 155772629) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine
PubChem CID155772629
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1CCCC1c1nc2ccccc2s1
InChIInChI=1S/C14H18N2S/c1-16(2)12-8-5-6-10(12)14-15-11-7-3-4-9-13(11)17-14/h3-4,7,9-10,12H,5-6,8H2,1-2H3
InChIKeySHLHRHOSHOKYPL-UHFFFAOYSA-N
XLogP3.49
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylcyclohex-3-en-1-yl)-1,3-benzothiazole
CID 118351557
(2S)-3-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 66838715
N,N-dimethylcyclohexanamine;ethane;N-methyl-1,3-benzothiazol-2-amine
CID 143125786
N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclooctanamine
CID 75445228
[2-(1,3-benzothiazol-2-yl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 24659727
2-(3-methyloxiran-2-yl)-1,3-benzothiazole
CID 72744188
[2-(1,3-benzothiazol-2-yl)cyclohexyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 24672040
5-(1,3-benzothiazol-2-yl)-1-methylpyrrolidin-2-one
CID 132524174
cis-(1S,2R)-2-(1,3-benzothiazol-2-yl)cyclopropane-1-carboxylic acid
CID 51674035
2-(1,3,3-trimethylpiperidin-4-yl)-1,3-benzothiazole
CID 169112728
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164
CID 174477252
CID 174477252

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine (CID 155772629) is 2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine is CN(C)C1CCCC1c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine?
The InChIKey is SHLHRHOSHOKYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-16(2)12-8-5-6-10(12)14-15-11-7-3-4-9-13(11)17-14/h3-4,7,9-10,12H,5-6,8H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine?
2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 155772629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).