(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine

C11H19N3S — CID 94247072

IUPAC(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
SMILESCc1ncc(CN2CC[C@H](N)[C@H](C)C2)s1
InChIInChI=1S/C11H19N3S/c1-8-6-14(4-3-11(8)12)7-10-5-13-9(2)15-10/h5,8,11H,3-4,6-7,12H2,1-2H3/t8-,11+/m1/s1
InChIKeyFLXPPMPDOUJTDI-KCJUWKMLSA-N
MW225.36 g/mol
LogP1.62
Rot. Bonds2

About (3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine

(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine (PubChem CID 94247072) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is (3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
PubChem CID94247072
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
SMILESCc1ncc(CN2CC[C@H](N)[C@H](C)C2)s1
InChIInChI=1S/C11H19N3S/c1-8-6-14(4-3-11(8)12)7-10-5-13-9(2)15-10/h5,8,11H,3-4,6-7,12H2,1-2H3/t8-,11+/m1/s1
InChIKeyFLXPPMPDOUJTDI-KCJUWKMLSA-N
XLogP1.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 165475821
4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909092
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005
6-chloro-N-[(3R,4R)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazin-2-amine
CID 97215807
2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967694
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961053
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methylpiperidin-4-amine
CID 79868557
2-methyl-5-[(4-propan-2-yloxypiperidin-1-yl)methyl]-1,3-thiazole
CID 58293913
2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide
CID 124721826
1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 120840724
1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 115741486
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of (3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine (CID 94247072) is (3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for (3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for (3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine is Cc1ncc(CN2CC[C@H](N)[C@H](C)C2)s1.
What is the InChIKey of (3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is FLXPPMPDOUJTDI-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8-6-14(4-3-11(8)12)7-10-5-13-9(2)15-10/h5,8,11H,3-4,6-7,12H2,1-2H3/t8-,11+/m1/s1.
What are the key properties of (3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine?
(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 225.36 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 94247072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).