1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine

C15H21N3S — CID 138054597

IUPAC1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine
SMILESCc1cc(C)c2nc(N3CCC(C)(N)CC3)sc2c1
InChIInChI=1S/C15H21N3S/c1-10-8-11(2)13-12(9-10)19-14(17-13)18-6-4-15(3,16)5-7-18/h8-9H,4-7,16H2,1-3H3
InChIKeyBQMKWZWJNCXVFF-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.23
Rot. Bonds1

About 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine

1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine (PubChem CID 138054597) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine
PubChem CID138054597
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine
SMILESCc1cc(C)c2nc(N3CCC(C)(N)CC3)sc2c1
InChIInChI=1S/C15H21N3S/c1-10-8-11(2)13-12(9-10)19-14(17-13)18-6-4-15(3,16)5-7-18/h8-9H,4-7,16H2,1-3H3
InChIKeyBQMKWZWJNCXVFF-UHFFFAOYSA-N
XLogP3.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941699
4,6-dimethyl-2-thiomorpholin-4-yl-1,3-benzothiazole
CID 171335889
2-[4-(4-chlorophenyl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 121081694
2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941703
4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
CID 121083589
1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7539819
S-[2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl] ethanethioate
CID 16949247
2-[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172902520
[1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 20883887
1-[2-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 7539840
6-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 163348324
4,6-dimethyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,3-benzothiazole
CID 121083588

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine?
The IUPAC name of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine (CID 138054597) is 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine.
What is the SMILES notation for 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine?
The canonical SMILES for 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine is Cc1cc(C)c2nc(N3CCC(C)(N)CC3)sc2c1.
What is the InChIKey of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine?
The InChIKey is BQMKWZWJNCXVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-10-8-11(2)13-12(9-10)19-14(17-13)18-6-4-15(3,16)5-7-18/h8-9H,4-7,16H2,1-3H3.
What are the key properties of 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine?
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine has a molecular weight of 275.42 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-methylpiperidin-4-amine is sourced from PubChem (CID 138054597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).