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

C11H18ClN3S — CID 79764714

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2cnc(Cl)s2)C1
InChIInChI=1S/C11H18ClN3S/c1-14-5-3-4-9(7-14)15(2)8-10-6-13-11(12)16-10/h6,9H,3-5,7-8H2,1-2H3
InChIKeyQZOIMPHLHFTRRR-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.32
Rot. Bonds3

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

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 79764714) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine
PubChem CID79764714
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine
SMILESCN1CCCC(N(C)Cc2cnc(Cl)s2)C1
InChIInChI=1S/C11H18ClN3S/c1-14-5-3-4-9(7-14)15(2)8-10-6-13-11(12)16-10/h6,9H,3-5,7-8H2,1-2H3
InChIKeyQZOIMPHLHFTRRR-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylcyclopropanamine
CID 79765082
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 79764841
2-[(2-chloro-1,3-thiazol-5-yl)methyl-methylamino]cyclohexan-1-ol
CID 102631816
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79583035
5-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 62546994
N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 55084699
1-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N,N-dimethylpiperidin-3-amine
CID 168581633
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 102662921
6-methyl-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]pyridin-3-ol
CID 82979829
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 79764596
N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine
CID 62547549

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine (CID 79764714) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine is CN1CCCC(N(C)Cc2cnc(Cl)s2)C1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is QZOIMPHLHFTRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-14-5-3-4-9(7-14)15(2)8-10-6-13-11(12)16-10/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-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 N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 79764714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).