2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

C12H18N4O2S — CID 47187069

IUPAC2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC2CCN(C)CC2)cs1
InChIInChI=1S/C12H18N4O2S/c1-8(17)13-12-15-10(7-19-12)11(18)14-9-3-5-16(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,14,18)(H,13,15,17)
InChIKeyCEFZOPCAWDAAIN-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.93
Rot. Bonds3

About 2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 47187069) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID47187069
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC2CCN(C)CC2)cs1
InChIInChI=1S/C12H18N4O2S/c1-8(17)13-12-15-10(7-19-12)11(18)14-9-3-5-16(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,14,18)(H,13,15,17)
InChIKeyCEFZOPCAWDAAIN-UHFFFAOYSA-N
XLogP0.93
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 47187069) is 2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)NC2CCN(C)CC2)cs1.
What is the InChIKey of 2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is CEFZOPCAWDAAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-8(17)13-12-15-10(7-19-12)11(18)14-9-3-5-16(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,14,18)(H,13,15,17).
What are the key properties of 2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47187069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).