2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole

C19H24N2OS — CID 175470885

IUPAC2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole
SMILESCC1CCC(c2ccc3sc(CC4COC4(C)C)nc3c2)=NC1
InChIInChI=1S/C19H24N2OS/c1-12-4-6-15(20-10-12)13-5-7-17-16(8-13)21-18(23-17)9-14-11-22-19(14,2)3/h5,7-8,12,14H,4,6,9-11H2,1-3H3
InChIKeyXMPBIXJBOZNCDM-UHFFFAOYSA-N
MW328.48 g/mol
LogP4.48
Rot. Bonds3

About 2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole

2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole (PubChem CID 175470885) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole
PubChem CID175470885
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC Name2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole
SMILESCC1CCC(c2ccc3sc(CC4COC4(C)C)nc3c2)=NC1
InChIInChI=1S/C19H24N2OS/c1-12-4-6-15(20-10-12)13-5-7-17-16(8-13)21-18(23-17)9-14-11-22-19(14,2)3/h5,7-8,12,14H,4,6,9-11H2,1-3H3
InChIKeyXMPBIXJBOZNCDM-UHFFFAOYSA-N
XLogP4.48
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole with MolForge

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Related Compounds

N-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine
CID 166022663
N,N-dimethyl-1-[1-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]cyclopropyl]methanamine
CID 171755952
2-cyclohexyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole
CID 166963509
2-ethyl-N,N-dimethyl-2-[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]butan-1-amine
CID 169112286
5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-2-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1,3-benzothiazole
CID 175470901
2-[(3S,4S)-1,4-dimethylpyrrolidin-3-yl]-5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazole
CID 169112319
1-methyl-4-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperidin-4-ol
CID 169114291
2-[4-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)phenyl]-1,3-benzothiazole
CID 175470914
tert-butyl (3S)-3-methyl-6-[2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole
CID 165040140
1,4-dimethyl-6-[5-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-1,3-benzothiazol-2-yl]piperazin-2-one
CID 170082871
3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine
CID 164752374
(1S)-2-ethyl-1-methyl-8-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
CID 176910052

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole?
The IUPAC name of 2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole (CID 175470885) is 2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole?
The canonical SMILES for 2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole is CC1CCC(c2ccc3sc(CC4COC4(C)C)nc3c2)=NC1.
What is the InChIKey of 2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole?
The InChIKey is XMPBIXJBOZNCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-12-4-6-15(20-10-12)13-5-7-17-16(8-13)21-18(23-17)9-14-11-22-19(14,2)3/h5,7-8,12,14H,4,6,9-11H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole?
2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole has a molecular weight of 328.48 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole is sourced from PubChem (CID 175470885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).