[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone

C13H19N3OS — CID 125020922

IUPAC[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
SMILESNc1nc([C@@H]2CCCCN2C(=O)C2CCC2)cs1
InChIInChI=1S/C13H19N3OS/c14-13-15-10(8-18-13)11-6-1-2-7-16(11)12(17)9-4-3-5-9/h8-9,11H,1-7H2,(H2,14,15)/t11-/m0/s1
InChIKeyYGEWPUKVXJLDJZ-NSHDSACASA-N
MW265.38 g/mol
LogP2.58
Rot. Bonds2

About [(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone

[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone (PubChem CID 125020922) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is [(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
PubChem CID125020922
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
SMILESNc1nc([C@@H]2CCCCN2C(=O)C2CCC2)cs1
InChIInChI=1S/C13H19N3OS/c14-13-15-10(8-18-13)11-6-1-2-7-16(11)12(17)9-4-3-5-9/h8-9,11H,1-7H2,(H2,14,15)/t11-/m0/s1
InChIKeyYGEWPUKVXJLDJZ-NSHDSACASA-N
XLogP2.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.58
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
1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984813
[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 110258686
[2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110258834
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
cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95730645
3-amino-6-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 124983437
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
3-amino-6-[(2R)-1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 124963286
cyclobutyl-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 91913578
cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97113868
cyclobutyl-[2-[6-(hydroxymethyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110268996

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone (CID 125020922) is [(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone is Nc1nc([C@@H]2CCCCN2C(=O)C2CCC2)cs1.
What is the InChIKey of [(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone?
The InChIKey is YGEWPUKVXJLDJZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3OS/c14-13-15-10(8-18-13)11-6-1-2-7-16(11)12(17)9-4-3-5-9/h8-9,11H,1-7H2,(H2,14,15)/t11-/m0/s1.
What are the key properties of [(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone?
[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone has a molecular weight of 265.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 125020922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).