N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine

C13H24N4S — CID 66388844

IUPACN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine
SMILESCC(N)c1nc(CN(C)C2CCCN(C)C2)cs1
InChIInChI=1S/C13H24N4S/c1-10(14)13-15-11(9-18-13)7-17(3)12-5-4-6-16(2)8-12/h9-10,12H,4-8,14H2,1-3H3
InChIKeyPTJCSVBSEAYWQF-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.69
Rot. Bonds4

About N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine

N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine (PubChem CID 66388844) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine.

Molecular Properties

Compound NameN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine
PubChem CID66388844
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC NameN-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine
SMILESCC(N)c1nc(CN(C)C2CCCN(C)C2)cs1
InChIInChI=1S/C13H24N4S/c1-10(14)13-15-11(9-18-13)7-17(3)12-5-4-6-16(2)8-12/h9-10,12H,4-8,14H2,1-3H3
InChIKeyPTJCSVBSEAYWQF-UHFFFAOYSA-N
XLogP1.69
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 126762296
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 62547867
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 82547581
1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389792
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine
CID 66388826
N'-methyl-N'-(1-methylpiperidin-3-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287822
N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine
CID 117038718
1-[4-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66384871
N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-methylcyclohexanamine
CID 130552489
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79764714
6-methyl-2-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]pyridin-3-ol
CID 82979829

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine?
The IUPAC name of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine (CID 66388844) is N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine.
What is the SMILES notation for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine?
The canonical SMILES for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine is CC(N)c1nc(CN(C)C2CCCN(C)C2)cs1.
What is the InChIKey of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine?
The InChIKey is PTJCSVBSEAYWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-10(14)13-15-11(9-18-13)7-17(3)12-5-4-6-16(2)8-12/h9-10,12H,4-8,14H2,1-3H3.
What are the key properties of N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine?
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine has a molecular weight of 268.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-3-amine is sourced from PubChem (CID 66388844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).