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

C15H27N3S — CID 114430915

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine
SMILESCCC1CCNC(CNC(C)c2sc(C)nc2C)C1
InChIInChI=1S/C15H27N3S/c1-5-13-6-7-16-14(8-13)9-17-10(2)15-11(3)18-12(4)19-15/h10,13-14,16-17H,5-9H2,1-4H3
InChIKeyKVIGUIJWIXWSNC-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.19
Rot. Bonds5

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

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine (PubChem CID 114430915) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine
PubChem CID114430915
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine
SMILESCCC1CCNC(CNC(C)c2sc(C)nc2C)C1
InChIInChI=1S/C15H27N3S/c1-5-13-6-7-16-14(8-13)9-17-10(2)15-11(3)18-12(4)19-15/h10,13-14,16-17H,5-9H2,1-4H3
InChIKeyKVIGUIJWIXWSNC-UHFFFAOYSA-N
XLogP3.19
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 54963110
N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 64569173
1-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425842
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 66471027
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 61192868
N-[(4-ethylpiperidin-2-yl)methyl]cyclopropanamine
CID 114430809
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-3-ylethyl)ethanamine
CID 62676178
N-[(4-ethylpiperidin-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 106052624
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531995
N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 114430810
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628409

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine (CID 114430915) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine is CCC1CCNC(CNC(C)c2sc(C)nc2C)C1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine?
The InChIKey is KVIGUIJWIXWSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-13-6-7-16-14(8-13)9-17-10(2)15-11(3)18-12(4)19-15/h10,13-14,16-17H,5-9H2,1-4H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine has a molecular weight of 281.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 114430915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).