2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine

C16H22N2S — CID 79818538

IUPAC2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Cc1nc2ccccc2s1
InChIInChI=1S/C16H22N2S/c1-2-10-17-13-8-5-6-12(13)11-16-18-14-7-3-4-9-15(14)19-16/h3-4,7,9,12-13,17H,2,5-6,8,10-11H2,1H3
InChIKeyBVBQQZNSDLONJH-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.01
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine

2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine (PubChem CID 79818538) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine
PubChem CID79818538
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Cc1nc2ccccc2s1
InChIInChI=1S/C16H22N2S/c1-2-10-17-13-8-5-6-12(13)11-16-18-14-7-3-4-9-15(14)19-16/h3-4,7,9,12-13,17H,2,5-6,8,10-11H2,1H3
InChIKeyBVBQQZNSDLONJH-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,3-benzothiazol-2-ylmethyl)cycloheptyl]-N-methylmethanamine
CID 81025561
2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 104631488
3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol
CID 79818705
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
CID 107417972
2-[(4-bromothiolan-3-yl)methyl]-1,3-benzothiazole
CID 104631746
2-[(2-methylphenyl)methyl]-N-propylcyclohexan-1-amine
CID 61382239
N-propyl-2-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 104736957
N-[[1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]methyl]propan-1-amine
CID 104631235
N-(1,3-benzothiazol-2-ylmethyl)-2-chlorocycloheptan-1-amine
CID 104632079
N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine
CID 65082467
N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine
CID 43394930
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine (CID 79818538) is 2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine is CCCNC1CCCC1Cc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine?
The InChIKey is BVBQQZNSDLONJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-2-10-17-13-8-5-6-12(13)11-16-18-14-7-3-4-9-15(14)19-16/h3-4,7,9,12-13,17H,2,5-6,8,10-11H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine?
2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79818538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).