4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one

C9H13N3O2S — CID 106383560

IUPAC4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESNC1CCCN(Cc2csc(=O)[nH]2)C1=O
InChIInChI=1S/C9H13N3O2S/c10-7-2-1-3-12(8(7)13)4-6-5-15-9(14)11-6/h5,7H,1-4,10H2,(H,11,14)
InChIKeyGVSNHGHRKGNFMF-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.11
Rot. Bonds2

About 4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one

4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106383560) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
PubChem CID106383560
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESNC1CCCN(Cc2csc(=O)[nH]2)C1=O
InChIInChI=1S/C9H13N3O2S/c10-7-2-1-3-12(8(7)13)4-6-5-15-9(14)11-6/h5,7H,1-4,10H2,(H,11,14)
InChIKeyGVSNHGHRKGNFMF-UHFFFAOYSA-N
XLogP-0.11
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]methyl]-3H-1,3-thiazol-2-one
CID 114181804
4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106381551
4-[(4-amino-2,3-dimethylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106381565
4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3H-1,3-thiazol-2-one
CID 106383533
4-[[3-(methylamino)piperidin-1-yl]methyl]-3H-1,3-thiazol-2-one
CID 106383562
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-3H-1,3-thiazol-2-one
CID 106383629
3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one
CID 141363746
3-cyclopropyl-3-methyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 106383741
4-[(3-amino-2-oxopiperidin-1-yl)methyl]benzonitrile
CID 11195559
3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one
CID 112672074
(3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
CID 95354948
3-amino-1-(2-prop-2-ynylsulfanylethyl)piperidin-2-one
CID 106432535

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one (CID 106383560) is 4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one is NC1CCCN(Cc2csc(=O)[nH]2)C1=O.
What is the InChIKey of 4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is GVSNHGHRKGNFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-7-2-1-3-12(8(7)13)4-6-5-15-9(14)11-6/h5,7H,1-4,10H2,(H,11,14).
What are the key properties of 4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 227.29 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106383560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).