6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine

C15H19N3OS — CID 114411011

IUPAC6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine
SMILESCOCC1=CCN(Cc2ccc3nc(N)sc3c2)CC1
InChIInChI=1S/C15H19N3OS/c1-19-10-11-4-6-18(7-5-11)9-12-2-3-13-14(8-12)20-15(16)17-13/h2-4,8H,5-7,9-10H2,1H3,(H2,16,17)
InChIKeyFZPUAQFULWDEDU-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.66
Rot. Bonds4

About 6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine

6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine (PubChem CID 114411011) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine
PubChem CID114411011
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine
SMILESCOCC1=CCN(Cc2ccc3nc(N)sc3c2)CC1
InChIInChI=1S/C15H19N3OS/c1-19-10-11-4-6-18(7-5-11)9-12-2-3-13-14(8-12)20-15(16)17-13/h2-4,8H,5-7,9-10H2,1H3,(H2,16,17)
InChIKeyFZPUAQFULWDEDU-UHFFFAOYSA-N
XLogP2.66
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 114547126
6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzothiazol-2-amine
CID 104959176
6-[(2-methylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348464
6-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348952
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-benzothiazol-2-amine
CID 65348371
6-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 66384420
6-(2-methylpropyl)-1,3-benzothiazol-2-amine
CID 20771989
ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine
CID 145100782
6-[[2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 123779226
7-[(3-fluorophenyl)methyl]-5,6,8,9-tetrahydro-[1,3]thiazolo[4,5-h][3]benzazepin-2-amine
CID 71541174
6-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 65348845
(3S)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836368

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine (CID 114411011) is 6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine is COCC1=CCN(Cc2ccc3nc(N)sc3c2)CC1.
What is the InChIKey of 6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine?
The InChIKey is FZPUAQFULWDEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-19-10-11-4-6-18(7-5-11)9-12-2-3-13-14(8-12)20-15(16)17-13/h2-4,8H,5-7,9-10H2,1H3,(H2,16,17).
What are the key properties of 6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine?
6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 289.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114411011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).