[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone

C13H21N3O2S — CID 102957497

IUPAC[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2csc(C(C)N)n2)CCC1C
InChIInChI=1S/C13H21N3O2S/c1-8-4-5-16(6-11(8)18-3)13(17)10-7-19-12(15-10)9(2)14/h7-9,11H,4-6,14H2,1-3H3
InChIKeyHXGVKWCPFUJSLU-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.66
Rot. Bonds3

About [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102957497) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
PubChem CID102957497
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2csc(C(C)N)n2)CCC1C
InChIInChI=1S/C13H21N3O2S/c1-8-4-5-16(6-11(8)18-3)13(17)10-7-19-12(15-10)9(2)14/h7-9,11H,4-6,14H2,1-3H3
InChIKeyHXGVKWCPFUJSLU-UHFFFAOYSA-N
XLogP1.66
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3773363
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495456
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107217663
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 66389375
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66389634
methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 66388535
[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124619868
2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide
CID 66388714
N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 102736248
N-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanesulfonamide
CID 66388122
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 66389919
(6-amino-2-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102965773

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone (CID 102957497) is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone is COC1CN(C(=O)c2csc(C(C)N)n2)CCC1C.
What is the InChIKey of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is HXGVKWCPFUJSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-8-4-5-16(6-11(8)18-3)13(17)10-7-19-12(15-10)9(2)14/h7-9,11H,4-6,14H2,1-3H3.
What are the key properties of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone?
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 283.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102957497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).