N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride

C11H19Cl2N3S — CID 71642202

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
SMILESCN(Cc1cnc(Cl)s1)CC1CCCNC1.Cl
InChIInChI=1S/C11H18ClN3S.ClH/c1-15(7-9-3-2-4-13-5-9)8-10-6-14-11(12)16-10;/h6,9,13H,2-5,7-8H2,1H3;1H
InChIKeyIWRKQBFBISHKBP-UHFFFAOYSA-N
MW296.27 g/mol
LogP2.65
Rot. Bonds4

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride (PubChem CID 71642202) has the molecular formula C11H19Cl2N3S and a molecular weight of 296.27 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
PubChem CID71642202
Molecular FormulaC11H19Cl2N3S
Molecular Weight296.27 g/mol
Exact Mass295.07
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
SMILESCN(Cc1cnc(Cl)s1)CC1CCCNC1.Cl
InChIInChI=1S/C11H18ClN3S.ClH/c1-15(7-9-3-2-4-13-5-9)8-10-6-14-11(12)16-10;/h6,9,13H,2-5,7-8H2,1H3;1H
InChIKeyIWRKQBFBISHKBP-UHFFFAOYSA-N
XLogP2.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride with MolForge

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 107124553
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 79764596
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929707
5-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71642119
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole
CID 97163906
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 97164652
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine
CID 129324317
N-methyl-N-[(5-methyl-3-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
CID 106636365
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815611
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride (CID 71642202) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride is CN(Cc1cnc(Cl)s1)CC1CCCNC1.Cl.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
The InChIKey is IWRKQBFBISHKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S.ClH/c1-15(7-9-3-2-4-13-5-9)8-10-6-14-11(12)16-10;/h6,9,13H,2-5,7-8H2,1H3;1H.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride has a molecular weight of 296.27 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 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-methyl-1-piperidin-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 71642202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).