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

C11H19N3S — CID 129427482

IUPAC(3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
SMILESCN[C@@H]1CCCN([C@H](C)c2nccs2)C1
InChIInChI=1S/C11H19N3S/c1-9(11-13-5-7-15-11)14-6-3-4-10(8-14)12-2/h5,7,9-10,12H,3-4,6,8H2,1-2H3/t9-,10-/m1/s1
InChIKeyUCPBNLBEFASHNY-NXEZZACHSA-N
MW225.36 g/mol
LogP1.89
Rot. Bonds3

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

(3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine (PubChem CID 129427482) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is (3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
PubChem CID129427482
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name(3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
SMILESCN[C@@H]1CCCN([C@H](C)c2nccs2)C1
InChIInChI=1S/C11H19N3S/c1-9(11-13-5-7-15-11)14-6-3-4-10(8-14)12-2/h5,7,9-10,12H,3-4,6,8H2,1-2H3/t9-,10-/m1/s1
InChIKeyUCPBNLBEFASHNY-NXEZZACHSA-N
XLogP1.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
CID 64991097
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-[(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
(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 96925793
(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol
CID 86329851
N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine
CID 63992505
(3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 71637692
1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80552809
2-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-thiazole
CID 66211376
2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole
CID 64949839
4-[1-(1,3-thiazol-2-yl)ethyl]piperazine-2-carboxylic acid
CID 71633476

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine?
The IUPAC name of (3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine (CID 129427482) is (3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine.
What is the SMILES notation for (3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine?
The canonical SMILES for (3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine is CN[C@@H]1CCCN([C@H](C)c2nccs2)C1.
What is the InChIKey of (3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine?
The InChIKey is UCPBNLBEFASHNY-NXEZZACHSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9(11-13-5-7-15-11)14-6-3-4-10(8-14)12-2/h5,7,9-10,12H,3-4,6,8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine?
(3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine has a molecular weight of 225.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine is sourced from PubChem (CID 129427482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).