2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide

C12H18N4O2S — CID 95828053

IUPAC2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCN(CC(N)=O)CC2)cs1
InChIInChI=1S/C12H18N4O2S/c1-8(17)14-12-15-10(7-19-12)9-2-4-16(5-3-9)6-11(13)18/h7,9H,2-6H2,1H3,(H2,13,18)(H,14,15,17)
InChIKeyQHSFEYLGWWUMQI-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.77
Rot. Bonds4

About 2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide

2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide (PubChem CID 95828053) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide
PubChem CID95828053
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCN(CC(N)=O)CC2)cs1
InChIInChI=1S/C12H18N4O2S/c1-8(17)14-12-15-10(7-19-12)9-2-4-16(5-3-9)6-11(13)18/h7,9H,2-6H2,1H3,(H2,13,18)(H,14,15,17)
InChIKeyQHSFEYLGWWUMQI-UHFFFAOYSA-N
XLogP0.77
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide (CID 95828053) is 2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide is CC(=O)Nc1nc(C2CCN(CC(N)=O)CC2)cs1.
What is the InChIKey of 2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide?
The InChIKey is QHSFEYLGWWUMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-8(17)14-12-15-10(7-19-12)9-2-4-16(5-3-9)6-11(13)18/h7,9H,2-6H2,1H3,(H2,13,18)(H,14,15,17).
What are the key properties of 2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide?
2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide has a molecular weight of 282.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95828053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).