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

C12H21N3S — CID 115724500

IUPAC1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCCN1CCC(NCc2ncc(C)s2)CC1
InChIInChI=1S/C12H21N3S/c1-3-15-6-4-11(5-7-15)13-9-12-14-8-10(2)16-12/h8,11,13H,3-7,9H2,1-2H3
InChIKeyKGEGZCWBBIHKEU-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.03
Rot. Bonds4

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

1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (PubChem CID 115724500) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
PubChem CID115724500
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCCN1CCC(NCc2ncc(C)s2)CC1
InChIInChI=1S/C12H21N3S/c1-3-15-6-4-11(5-7-15)13-9-12-14-8-10(2)16-12/h8,11,13H,3-7,9H2,1-2H3
InChIKeyKGEGZCWBBIHKEU-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 113262193
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropanamine;dihydrochloride
CID 56773659
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine
CID 103859828
N-[(5-methyl-1,3-thiazol-2-yl)methyl]cycloheptanamine
CID 115655830
1,2-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 103786250
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxetan-3-amine
CID 103874822
1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073772
N-[(5-methyl-1,3-thiazol-2-yl)methyl]oxepan-4-amine
CID 103894937
N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 28665108
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55113480
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-propylpiperidin-4-amine
CID 54883470
2,6-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 115724485

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (CID 115724500) is 1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is CCN1CCC(NCc2ncc(C)s2)CC1.
What is the InChIKey of 1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is KGEGZCWBBIHKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-15-6-4-11(5-7-15)13-9-12-14-8-10(2)16-12/h8,11,13H,3-7,9H2,1-2H3.
What are the key properties of 1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 239.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 115724500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).