N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine

C12H21N3S — CID 64991097

IUPACN-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(C(C)c2nccs2)C1
InChIInChI=1S/C12H21N3S/c1-10(12-14-5-7-16-12)15-6-3-4-11(9-15)8-13-2/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3
InChIKeyBMARPTOJCWYJSM-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.14
Rot. Bonds4

About N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine

N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine (PubChem CID 64991097) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
PubChem CID64991097
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
SMILESCNCC1CCCN(C(C)c2nccs2)C1
InChIInChI=1S/C12H21N3S/c1-10(12-14-5-7-16-12)15-6-3-4-11(9-15)8-13-2/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3
InChIKeyBMARPTOJCWYJSM-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 ≤ 500239.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol
CID 86324532
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
CID 98085621
(3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
CID 129427482
(3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 71637692
2-[1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]-1,3-thiazole
CID 79939420
(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 96925793
N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61204878
N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol
CID 86329851
N-methyl-1-[1-[1-(2-methylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61206350
1-[1-[1-(2,6-difluorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119914638
1-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61205990

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine (CID 64991097) is N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine is CNCC1CCCN(C(C)c2nccs2)C1.
What is the InChIKey of N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine?
The InChIKey is BMARPTOJCWYJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10(12-14-5-7-16-12)15-6-3-4-11(9-15)8-13-2/h5,7,10-11,13H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine?
N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine has a molecular weight of 239.39 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-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 64991097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).