N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C17H23N3S — CID 120836574

IUPACN-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1nc2ccc(CN(C)C3CC4CCC(C3)N4)cc2s1
InChIInChI=1S/C17H23N3S/c1-11-18-16-6-3-12(7-17(16)21-11)10-20(2)15-8-13-4-5-14(9-15)19-13/h3,6-7,13-15,19H,4-5,8-10H2,1-2H3
InChIKeyHYNBPMPGQZUTCF-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.32
Rot. Bonds3

About N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 120836574) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID120836574
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1nc2ccc(CN(C)C3CC4CCC(C3)N4)cc2s1
InChIInChI=1S/C17H23N3S/c1-11-18-16-6-3-12(7-17(16)21-11)10-20(2)15-8-13-4-5-14(9-15)19-13/h3,6-7,13-15,19H,4-5,8-10H2,1-2H3
InChIKeyHYNBPMPGQZUTCF-UHFFFAOYSA-N
XLogP3.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836502
N-cyclopropyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine
CID 120842423
N-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62096006
2-methyl-6-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84795648
N-[(4-ethoxy-3-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836496
N-methyl-N-[[6-(N-methylanilino)-3-pyridinyl]methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 120836616
N-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 120836604
1-(2-methyl-1,3-benzothiazol-6-yl)propan-2-one
CID 82609939
3-(2-methyl-1,3-benzothiazol-6-yl)propan-1-amine
CID 45097023
3-(2-methyl-1,3-benzothiazol-6-yl)propane-1-thiol
CID 116999846
(3S)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836368
2-methyl-6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-benzothiazole
CID 120845855

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 120836574) is N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is Cc1nc2ccc(CN(C)C3CC4CCC(C3)N4)cc2s1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is HYNBPMPGQZUTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-11-18-16-6-3-12(7-17(16)21-11)10-20(2)15-8-13-4-5-14(9-15)19-13/h3,6-7,13-15,19H,4-5,8-10H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 301.46 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 120836574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).