N-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

C13H15N3O2S — CID 47261393

IUPACN-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)Nc2c[nH]ccc2=O)cs1
InChIInChI=1S/C13H15N3O2S/c1-8(2)13-15-9(7-19-13)5-12(18)16-10-6-14-4-3-11(10)17/h3-4,6-8H,5H2,1-2H3,(H,14,17)(H,16,18)
InChIKeyBRRLUFWBWWXYBV-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.14
Rot. Bonds4

About N-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

N-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 47261393) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID47261393
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)Nc2c[nH]ccc2=O)cs1
InChIInChI=1S/C13H15N3O2S/c1-8(2)13-15-9(7-19-13)5-12(18)16-10-6-14-4-3-11(10)17/h3-4,6-8H,5H2,1-2H3,(H,14,17)(H,16,18)
InChIKeyBRRLUFWBWWXYBV-UHFFFAOYSA-N
XLogP2.14
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (CID 47261393) is N-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)c1nc(CC(=O)Nc2c[nH]ccc2=O)cs1.
What is the InChIKey of N-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is BRRLUFWBWWXYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-8(2)13-15-9(7-19-13)5-12(18)16-10-6-14-4-3-11(10)17/h3-4,6-8H,5H2,1-2H3,(H,14,17)(H,16,18).
What are the key properties of N-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
N-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 277.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-1H-pyridin-3-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 47261393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).