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

C16H29N3S — CID 63163672

IUPACN-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1(C)CCN(c2ncc(CNC(C)(C)C)s2)CC1
InChIInChI=1S/C16H29N3S/c1-6-16(5)7-9-19(10-8-16)14-17-11-13(20-14)12-18-15(2,3)4/h11,18H,6-10,12H2,1-5H3
InChIKeyJFQSJLLQWSXUBR-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.05
Rot. Bonds4

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

N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63163672) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID63163672
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1(C)CCN(c2ncc(CNC(C)(C)C)s2)CC1
InChIInChI=1S/C16H29N3S/c1-6-16(5)7-9-19(10-8-16)14-17-11-13(20-14)12-18-15(2,3)4/h11,18H,6-10,12H2,1-5H3
InChIKeyJFQSJLLQWSXUBR-UHFFFAOYSA-N
XLogP4.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 63163672) is N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CCC1(C)CCN(c2ncc(CNC(C)(C)C)s2)CC1.
What is the InChIKey of N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JFQSJLLQWSXUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-6-16(5)7-9-19(10-8-16)14-17-11-13(20-14)12-18-15(2,3)4/h11,18H,6-10,12H2,1-5H3.
What are the key properties of N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63163672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).