1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine

C11H18ClN3S — CID 79764841

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(Cc2cnc(Cl)s2)C1
InChIInChI=1S/C11H18ClN3S/c1-14(2)9-4-3-5-15(7-9)8-10-6-13-11(12)16-10/h6,9H,3-5,7-8H2,1-2H3
InChIKeyUPBQHPIPROWXOU-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.32
Rot. Bonds3

About 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 79764841) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine
PubChem CID79764841
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(Cc2cnc(Cl)s2)C1
InChIInChI=1S/C11H18ClN3S/c1-14(2)9-4-3-5-15(7-9)8-10-6-13-11(12)16-10/h6,9H,3-5,7-8H2,1-2H3
InChIKeyUPBQHPIPROWXOU-UHFFFAOYSA-N
XLogP2.32
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine
CID 86318021
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79764714
1-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpiperidin-3-amine
CID 168581633
ethyl (3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 81339167
2-chloro-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazole
CID 79765489
2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 71639382
1-[(5-chlorothiadiazol-4-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 63089872
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961053
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 80609765
5-[[3-(dimethylamino)piperidin-1-yl]methyl]-N-propylpyrazin-2-amine
CID 103056582
tert-butyl N-[[(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]carbamate
CID 97174485
1-[(5-bromothiophen-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 55219165

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine (CID 79764841) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(Cc2cnc(Cl)s2)C1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is UPBQHPIPROWXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-14(2)9-4-3-5-15(7-9)8-10-6-13-11(12)16-10/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 259.81 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 79764841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).