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

C15H21N3S — CID 120838011

IUPACN-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2ccc3nc(C)sc3c2)C1
InChIInChI=1S/C15H21N3S/c1-11-17-14-6-5-12(8-15(14)19-11)9-18-7-3-4-13(10-18)16-2/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyUQQWUWSJQOPDNA-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.79
Rot. Bonds3

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

N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine (PubChem CID 120838011) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
PubChem CID120838011
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2ccc3nc(C)sc3c2)C1
InChIInChI=1S/C15H21N3S/c1-11-17-14-6-5-12(8-15(14)19-11)9-18-7-3-4-13(10-18)16-2/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyUQQWUWSJQOPDNA-UHFFFAOYSA-N
XLogP2.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine
CID 120845998
N-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidin-3-amine
CID 105378976
(3S)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120836368
N-(2-aminoethyl)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidine-3-carboxamide
CID 120837331
2-methyl-6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-benzothiazole
CID 120845855
1-[1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 120844631
4-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120908997
ethane;4-[(2-methyl-1,3-benzothiazol-6-yl)methyl]morpholine
CID 145100782
(3R)-1-[(6-chloro-3-pyridinyl)methyl]-N-methylpiperidin-3-amine
CID 94476054
2-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine;hydrochloride
CID 120844245
5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-benzothiazole
CID 135135234
(3S,4R)-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846823

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine (CID 120838011) is N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine is CNC1CCCN(Cc2ccc3nc(C)sc3c2)C1.
What is the InChIKey of N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine?
The InChIKey is UQQWUWSJQOPDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-17-14-6-5-12(8-15(14)19-11)9-18-7-3-4-13(10-18)16-2/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine?
N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine has a molecular weight of 275.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-methyl-1,3-benzothiazol-6-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 120838011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).