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

C13H19N3OS — CID 110258686

IUPAC[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
SMILESNc1nc(C2CCCN(C(=O)C3CCC3)C2)cs1
InChIInChI=1S/C13H19N3OS/c14-13-15-11(8-18-13)10-5-2-6-16(7-10)12(17)9-3-1-4-9/h8-10H,1-7H2,(H2,14,15)
InChIKeyXHBGTGHPCHMOBI-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.23
Rot. Bonds2

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

[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone (PubChem CID 110258686) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is [3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
PubChem CID110258686
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
SMILESNc1nc(C2CCCN(C(=O)C3CCC3)C2)cs1
InChIInChI=1S/C13H19N3OS/c14-13-15-11(8-18-13)10-5-2-6-16(7-10)12(17)9-3-1-4-9/h8-10H,1-7H2,(H2,14,15)
InChIKeyXHBGTGHPCHMOBI-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate
CID 156820250
[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110090247
[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 125020922
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine
CID 95829128
[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110269324
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
[3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-cyclobutylmethanone
CID 110249571
3-[2-(cyclobutanecarbonyl)-1,3-thiazol-4-yl]piperidine-1-carbaldehyde
CID 144789318

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone?
The IUPAC name of [3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone (CID 110258686) is [3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone.
What is the SMILES notation for [3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone?
The canonical SMILES for [3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone is Nc1nc(C2CCCN(C(=O)C3CCC3)C2)cs1.
What is the InChIKey of [3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone?
The InChIKey is XHBGTGHPCHMOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c14-13-15-11(8-18-13)10-5-2-6-16(7-10)12(17)9-3-1-4-9/h8-10H,1-7H2,(H2,14,15).
What are the key properties of [3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone?
[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone has a molecular weight of 265.38 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone is sourced from PubChem (CID 110258686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).