1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine

C15H21N3S — CID 79879106

IUPAC1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine
SMILESCC1CN(C(C)c2nc3ccccc3s2)CCC1N
InChIInChI=1S/C15H21N3S/c1-10-9-18(8-7-12(10)16)11(2)15-17-13-5-3-4-6-14(13)19-15/h3-6,10-12H,7-9,16H2,1-2H3
InChIKeyHYOZVUKCPKVWFW-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.03
Rot. Bonds2

About 1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine

1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine (PubChem CID 79879106) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine
PubChem CID79879106
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine
SMILESCC1CN(C(C)c2nc3ccccc3s2)CCC1N
InChIInChI=1S/C15H21N3S/c1-10-9-18(8-7-12(10)16)11(2)15-17-13-5-3-4-6-14(13)19-15/h3-6,10-12H,7-9,16H2,1-2H3
InChIKeyHYOZVUKCPKVWFW-UHFFFAOYSA-N
XLogP3.03
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-1,3-benzothiazole
CID 63861175
2-[(1S)-1-[4-(4-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole
CID 51869364
1-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 47110924
1-[1-(1,3-benzothiazol-2-yl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383182
2-[1-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 173279216
2-[1-[1-(1,3-benzothiazol-2-yl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65068157
[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 56810069
[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95590599
2-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 34041760
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
(2R)-N-(1-adamantyl)-2-[4-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]propanamide
CID 30735493
2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzothiazole
CID 43031251

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine (CID 79879106) is 1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine is CC1CN(C(C)c2nc3ccccc3s2)CCC1N.
What is the InChIKey of 1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine?
The InChIKey is HYOZVUKCPKVWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-10-9-18(8-7-12(10)16)11(2)15-17-13-5-3-4-6-14(13)19-15/h3-6,10-12H,7-9,16H2,1-2H3.
What are the key properties of 1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine?
1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine has a molecular weight of 275.42 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzothiazol-2-yl)ethyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 79879106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).