1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride

C11H20ClN3S — CID 120558523

IUPAC1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCCc1csc(CN2CCC(N)CC2)n1.Cl
InChIInChI=1S/C11H19N3S.ClH/c1-2-10-8-15-11(13-10)7-14-5-3-9(12)4-6-14;/h8-9H,2-7,12H2,1H3;1H
InChIKeyMAIATGPNXLDKEN-UHFFFAOYSA-N
MW261.82 g/mol
LogP2.05
Rot. Bonds3

About 1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride

1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 120558523) has the molecular formula C11H20ClN3S and a molecular weight of 261.82 g/mol. Its IUPAC name is 1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
PubChem CID120558523
Molecular FormulaC11H20ClN3S
Molecular Weight261.82 g/mol
Exact Mass261.11
IUPAC Name1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCCc1csc(CN2CCC(N)CC2)n1.Cl
InChIInChI=1S/C11H19N3S.ClH/c1-2-10-8-15-11(13-10)7-14-5-3-9(12)4-6-14;/h8-9H,2-7,12H2,1H3;1H
InChIKeyMAIATGPNXLDKEN-UHFFFAOYSA-N
XLogP2.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43556699
[2-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82515423
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119917529
N-(cyclopropylmethyl)-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120841666
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
2-[1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]acetamide
CID 54989002
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine;dihydrochloride
CID 119922529
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148
N-[[2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 82515522
2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846302
N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43556565
[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 63008864

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride (CID 120558523) is 1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride is CCc1csc(CN2CCC(N)CC2)n1.Cl.
What is the InChIKey of 1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is MAIATGPNXLDKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S.ClH/c1-2-10-8-15-11(13-10)7-14-5-3-9(12)4-6-14;/h8-9H,2-7,12H2,1H3;1H.
What are the key properties of 1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride?
1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 261.82 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120558523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).