2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide

C13H20N4O2S — CID 66388714

IUPAC2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide
SMILESCC(N)c1nc(C(=O)N2CCC(CC(N)=O)CC2)cs1
InChIInChI=1S/C13H20N4O2S/c1-8(14)12-16-10(7-20-12)13(19)17-4-2-9(3-5-17)6-11(15)18/h7-9H,2-6,14H2,1H3,(H2,15,18)
InChIKeyUUGIBPPAWSARJA-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.89
Rot. Bonds4

About 2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide

2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide (PubChem CID 66388714) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide
PubChem CID66388714
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide
SMILESCC(N)c1nc(C(=O)N2CCC(CC(N)=O)CC2)cs1
InChIInChI=1S/C13H20N4O2S/c1-8(14)12-16-10(7-20-12)13(19)17-4-2-9(3-5-17)6-11(15)18/h7-9H,2-6,14H2,1H3,(H2,15,18)
InChIKeyUUGIBPPAWSARJA-UHFFFAOYSA-N
XLogP0.89
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 66389375
[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
N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 102736248
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propylazepan-1-yl)methanone
CID 66390338
N-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanesulfonamide
CID 66388122
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66389634
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107217663
methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 66388535
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 66388121
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957497
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(oxan-4-yl)ethanone
CID 116585794

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide (CID 66388714) is 2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide is CC(N)c1nc(C(=O)N2CCC(CC(N)=O)CC2)cs1.
What is the InChIKey of 2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide?
The InChIKey is UUGIBPPAWSARJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-8(14)12-16-10(7-20-12)13(19)17-4-2-9(3-5-17)6-11(15)18/h7-9H,2-6,14H2,1H3,(H2,15,18).
What are the key properties of 2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide?
2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide has a molecular weight of 296.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 66388714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).