2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine

C14H26N4S — CID 66386282

IUPAC2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCN1CCC(CN(C)Cc2csc(CCN)n2)CC1
InChIInChI=1S/C14H26N4S/c1-17-7-4-12(5-8-17)9-18(2)10-13-11-19-14(16-13)3-6-15/h11-12H,3-10,15H2,1-2H3
InChIKeyZKRAQDXFBIDJTP-UHFFFAOYSA-N
MW282.46 g/mol
LogP1.42
Rot. Bonds6

About 2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine

2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 66386282) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID66386282
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCN1CCC(CN(C)Cc2csc(CCN)n2)CC1
InChIInChI=1S/C14H26N4S/c1-17-7-4-12(5-8-17)9-18(2)10-13-11-19-14(16-13)3-6-15/h11-12H,3-10,15H2,1-2H3
InChIKeyZKRAQDXFBIDJTP-UHFFFAOYSA-N
XLogP1.42
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine (CID 66386282) is 2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine is CN1CCC(CN(C)Cc2csc(CCN)n2)CC1.
What is the InChIKey of 2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is ZKRAQDXFBIDJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-17-7-4-12(5-8-17)9-18(2)10-13-11-19-14(16-13)3-6-15/h11-12H,3-10,15H2,1-2H3.
What are the key properties of 2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine?
2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 282.46 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66386282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).