N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride

C11H20ClN3S — CID 71641920

IUPACN-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
SMILESCN(Cc1cncs1)CC1CCCCN1.Cl
InChIInChI=1S/C11H19N3S.ClH/c1-14(8-11-6-12-9-15-11)7-10-4-2-3-5-13-10;/h6,9-10,13H,2-5,7-8H2,1H3;1H
InChIKeyRYCWLVPEYNDMDL-UHFFFAOYSA-N
MW261.82 g/mol
LogP2.14
Rot. Bonds4

About N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride

N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride (PubChem CID 71641920) has the molecular formula C11H20ClN3S and a molecular weight of 261.82 g/mol. Its IUPAC name is N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
PubChem CID71641920
Molecular FormulaC11H20ClN3S
Molecular Weight261.82 g/mol
Exact Mass261.11
IUPAC NameN-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
SMILESCN(Cc1cncs1)CC1CCCCN1.Cl
InChIInChI=1S/C11H19N3S.ClH/c1-14(8-11-6-12-9-15-11)7-10-4-2-3-5-13-10;/h6,9-10,13H,2-5,7-8H2,1H3;1H
InChIKeyRYCWLVPEYNDMDL-UHFFFAOYSA-N
XLogP2.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 106603791
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 103694929
N-(1H-imidazol-5-ylmethyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 106635288
N-methyl-1-[(2R)-piperidin-2-yl]-N-(pyrazin-2-ylmethyl)methanamine
CID 97164246
N-methyl-1-piperidin-2-yl-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 106623020
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 107124551
N-methyl-1-piperidin-2-yl-N-(pyrimidin-4-ylmethyl)methanamine
CID 106622951
N-methyl-N-(pyridin-4-ylmethyl)-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642062
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 102550778
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine
CID 97164237
1-(azepan-2-yl)-N-(furan-3-ylmethyl)-N-methylmethanamine
CID 64570164
N-[(4,5-dibromothiophen-2-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106602748

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride?
The IUPAC name of N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride (CID 71641920) is N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride is CN(Cc1cncs1)CC1CCCCN1.Cl.
What is the InChIKey of N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride?
The InChIKey is RYCWLVPEYNDMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S.ClH/c1-14(8-11-6-12-9-15-11)7-10-4-2-3-5-13-10;/h6,9-10,13H,2-5,7-8H2,1H3;1H.
What are the key properties of N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride?
N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride has a molecular weight of 261.82 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-2-yl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 71641920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).