6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine

C13H17N3S — CID 65348464

IUPAC6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCC1CCCN1Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C13H17N3S/c1-9-3-2-6-16(9)8-10-4-5-11-12(7-10)17-13(14)15-11/h4-5,7,9H,2-3,6,8H2,1H3,(H2,14,15)
InChIKeyDJOFPXKMUNGFDT-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.86
Rot. Bonds2

About 6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine

6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 65348464) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID65348464
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCC1CCCN1Cc1ccc2nc(N)sc2c1
InChIInChI=1S/C13H17N3S/c1-9-3-2-6-16(9)8-10-4-5-11-12(7-10)17-13(14)15-11/h4-5,7,9H,2-3,6,8H2,1H3,(H2,14,15)
InChIKeyDJOFPXKMUNGFDT-UHFFFAOYSA-N
XLogP2.86
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-benzothiazol-2-amine
CID 65348371
6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348845
6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 114547126
6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 66384420
6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzothiazol-2-amine
CID 104959176
6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348952
(2-amino-1,3-benzothiazol-6-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 65349298
6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine
CID 114411011
(2-amino-1,3-benzothiazol-6-yl)-(2-methylpiperidin-1-yl)methanone
CID 43831279
N-[4-[(2-methylpyrrolidin-1-yl)methyl]-2-pyridinyl]-6-pyridin-4-yl-1,3-benzothiazol-2-amine
CID 90121685
6-ethyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 108778408
6-[2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 15171535

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine (CID 65348464) is 6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine is CC1CCCN1Cc1ccc2nc(N)sc2c1.
What is the InChIKey of 6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is DJOFPXKMUNGFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-3-2-6-16(9)8-10-4-5-11-12(7-10)17-13(14)15-11/h4-5,7,9H,2-3,6,8H2,1H3,(H2,14,15).
What are the key properties of 6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine?
6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 65348464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).