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

C15H21N3S — CID 79142087

IUPAC6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCC3CCCN(C)C3)sc2c1
InChIInChI=1S/C15H21N3S/c1-11-5-6-13-14(8-11)19-15(17-13)16-9-12-4-3-7-18(2)10-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,16,17)
InChIKeyKIFALERRWLQQCI-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.36
Rot. Bonds3

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

6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 79142087) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID79142087
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCC3CCCN(C)C3)sc2c1
InChIInChI=1S/C15H21N3S/c1-11-5-6-13-14(8-11)19-15(17-13)16-9-12-4-3-7-18(2)10-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,16,17)
InChIKeyKIFALERRWLQQCI-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142498
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142582
6-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 114516288
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methyl-1,3-benzothiazol-2-amine
CID 63898413
6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
(2-chloro-5-methylphenyl)-[(3S)-3-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]methyl]pyrrolidin-1-yl]methanone
CID 44628682
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 115581786
6-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 106027416
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 12741817

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine (CID 79142087) is 6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine is Cc1ccc2nc(NCC3CCCN(C)C3)sc2c1.
What is the InChIKey of 6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is KIFALERRWLQQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-5-6-13-14(8-11)19-15(17-13)16-9-12-4-3-7-18(2)10-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,16,17).
What are the key properties of 6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine?
6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).