N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide

C12H17N3O2S — CID 95828294

IUPACN-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCN(C(C)=O)CC2)cs1
InChIInChI=1S/C12H17N3O2S/c1-8(16)13-12-14-11(7-18-12)10-3-5-15(6-4-10)9(2)17/h7,10H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyUFGOBLTYIRXNHE-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.83
Rot. Bonds2

About N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide

N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 95828294) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID95828294
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCN(C(C)=O)CC2)cs1
InChIInChI=1S/C12H17N3O2S/c1-8(16)13-12-14-11(7-18-12)10-3-5-15(6-4-10)9(2)17/h7,10H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyUFGOBLTYIRXNHE-UHFFFAOYSA-N
XLogP1.83
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide (CID 95828294) is N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C2CCN(C(C)=O)CC2)cs1.
What is the InChIKey of N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is UFGOBLTYIRXNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8(16)13-12-14-11(7-18-12)10-3-5-15(6-4-10)9(2)17/h7,10H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 267.35 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-acetylpiperidin-4-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 95828294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).