1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone

C10H15N3OS — CID 124984813

IUPAC1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1c1csc(N)n1
InChIInChI=1S/C10H15N3OS/c1-7(14)13-5-3-2-4-9(13)8-6-15-10(11)12-8/h6,9H,2-5H2,1H3,(H2,11,12)/t9-/m1/s1
InChIKeyNNMCTXZMVMEGCB-SECBINFHSA-N
MW225.32 g/mol
LogP1.80
Rot. Bonds1

About 1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone

1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone (PubChem CID 124984813) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
PubChem CID124984813
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1c1csc(N)n1
InChIInChI=1S/C10H15N3OS/c1-7(14)13-5-3-2-4-9(13)8-6-15-10(11)12-8/h6,9H,2-5H2,1H3,(H2,11,12)/t9-/m1/s1
InChIKeyNNMCTXZMVMEGCB-SECBINFHSA-N
XLogP1.80
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984814
[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 125020922
tert-butyl (2R)-2-(2-acetamido-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate
CID 159351798
[2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110258834
1-[(2S)-2-(6-chloropyrazin-2-yl)piperidin-1-yl]ethanone
CID 95804809
2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide
CID 155985678
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
methyl 2-[2-[2-[1-(2-methoxy-2-oxoacetyl)pyrrolidin-2-yl]-1,3-thiazol-4-yl]pyrrolidin-1-yl]-2-oxoacetate
CID 23532314
4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 95829363
4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 115021188
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone (CID 124984813) is 1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone is CC(=O)N1CCCC[C@@H]1c1csc(N)n1.
What is the InChIKey of 1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
The InChIKey is NNMCTXZMVMEGCB-SECBINFHSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(14)13-5-3-2-4-9(13)8-6-15-10(11)12-8/h6,9H,2-5H2,1H3,(H2,11,12)/t9-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone?
1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone has a molecular weight of 225.32 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124984813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).