N-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine

C18H25N3S — CID 166022663

IUPACN-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine
SMILESCC1CCC(c2ccc3sc(CN(C)C(C)C)nc3c2)=NC1
InChIInChI=1S/C18H25N3S/c1-12(2)21(4)11-18-20-16-9-14(6-8-17(16)22-18)15-7-5-13(3)10-19-15/h6,8-9,12-13H,5,7,10-11H2,1-4H3
InChIKeyXIVNVDYYKFSVRV-UHFFFAOYSA-N
MW315.49 g/mol
LogP4.36
Rot. Bonds4

About N-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine

N-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine (PubChem CID 166022663) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is N-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine
PubChem CID166022663
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC NameN-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine
SMILESCC1CCC(c2ccc3sc(CN(C)C(C)C)nc3c2)=NC1
InChIInChI=1S/C18H25N3S/c1-12(2)21(4)11-18-20-16-9-14(6-8-17(16)22-18)15-7-5-13(3)10-19-15/h6,8-9,12-13H,5,7,10-11H2,1-4H3
InChIKeyXIVNVDYYKFSVRV-UHFFFAOYSA-N
XLogP4.36
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,2-dimethyloxetan-3-yl)methyl]-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazole
CID 175470885
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
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
5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-2-(1,2,2,3,3-pentamethylpiperidin-4-yl)-1,3-benzothiazole
CID 175470901
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
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
3-methyl-6-(4-methylsulfonylphenyl)-2,3,4,5-tetrahydropyridine
CID 164752374
CID 164958264
CID 164958264

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine (CID 166022663) is N-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine is CC1CCC(c2ccc3sc(CN(C)C(C)C)nc3c2)=NC1.
What is the InChIKey of N-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine?
The InChIKey is XIVNVDYYKFSVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-12(2)21(4)11-18-20-16-9-14(6-8-17(16)22-18)15-7-5-13(3)10-19-15/h6,8-9,12-13H,5,7,10-11H2,1-4H3.
What are the key properties of N-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine?
N-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine has a molecular weight of 315.49 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1,3-benzothiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 166022663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).