1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine

C12H21N3S — CID 114431418

IUPAC1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCCC1CCNC(CNCc2cncs2)C1
InChIInChI=1S/C12H21N3S/c1-2-10-3-4-15-11(5-10)6-13-7-12-8-14-9-16-12/h8-11,13,15H,2-7H2,1H3
InChIKeyXETBDJBVYGCRAQ-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.01
Rot. Bonds5

About 1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine

1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 114431418) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID114431418
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCCC1CCNC(CNCc2cncs2)C1
InChIInChI=1S/C12H21N3S/c1-2-10-3-4-15-11(5-10)6-13-7-12-8-14-9-16-12/h8-11,13,15H,2-7H2,1H3
InChIKeyXETBDJBVYGCRAQ-UHFFFAOYSA-N
XLogP2.01
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(1,3-thiazol-5-ylmethyl)methanamine;hydrochloride
CID 167715845
N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106052624
N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 114430810
N-[(4-ethylpiperidin-2-yl)methyl]cyclopropanamine
CID 114430809
N-[(4-ethylpiperidin-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 114431077
N-[(4-ethylpiperidin-2-yl)methyl]-4-methyloxan-4-amine
CID 114431402
2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732773
1-(4-methylpiperidin-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 114421441
1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 63899142
1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 112644380
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylpiperidin-2-yl)methanamine
CID 114421555
2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone
CID 114425730

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 114431418) is 1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine is CCC1CCNC(CNCc2cncs2)C1.
What is the InChIKey of 1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is XETBDJBVYGCRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-10-3-4-15-11(5-10)6-13-7-12-8-14-9-16-12/h8-11,13,15H,2-7H2,1H3.
What are the key properties of 1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 239.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 114431418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).