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

C13H23N3S — CID 124517257

IUPAC2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine
SMILESCc1nc(CN2CCC[C@@H](CCN)C2)sc1C
InChIInChI=1S/C13H23N3S/c1-10-11(2)17-13(15-10)9-16-7-3-4-12(8-16)5-6-14/h12H,3-9,14H2,1-2H3/t12-/m0/s1
InChIKeySQDJXWHCPYKLLL-LBPRGKRZSA-N
MW253.41 g/mol
LogP2.32
Rot. Bonds4

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

2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine (PubChem CID 124517257) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine
PubChem CID124517257
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine
SMILESCc1nc(CN2CCC[C@@H](CCN)C2)sc1C
InChIInChI=1S/C13H23N3S/c1-10-11(2)17-13(15-10)9-16-7-3-4-12(8-16)5-6-14/h12H,3-9,14H2,1-2H3/t12-/m0/s1
InChIKeySQDJXWHCPYKLLL-LBPRGKRZSA-N
XLogP2.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-yl]ethanamine
CID 65168736
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728713
2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846302
[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427494
2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120967190
2-[1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728593
2-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728362
2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
CID 79426860
2-[1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]ethanamine
CID 66119014
2-[1-(thiadiazol-4-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728721
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
CID 120846234
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine (CID 124517257) is 2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine is Cc1nc(CN2CCC[C@@H](CCN)C2)sc1C.
What is the InChIKey of 2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is SQDJXWHCPYKLLL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10-11(2)17-13(15-10)9-16-7-3-4-12(8-16)5-6-14/h12H,3-9,14H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine?
2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 253.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 124517257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).