N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C12H13N3O2S2 — CID 99710479

IUPACN-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)Nc1c[nH]c(=O)c(C)c1
InChIInChI=1S/C12H13N3O2S2/c1-6-3-8(5-13-11(6)17)15-10(16)4-9-7(2)14-12(18)19-9/h3,5H,4H2,1-2H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyPJNMOXZLYFAZID-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.29
Rot. Bonds3

About N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 99710479) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID99710479
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC NameN-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)Nc1c[nH]c(=O)c(C)c1
InChIInChI=1S/C12H13N3O2S2/c1-6-3-8(5-13-11(6)17)15-10(16)4-9-7(2)14-12(18)19-9/h3,5H,4H2,1-2H3,(H,13,17)(H,14,18)(H,15,16)
InChIKeyPJNMOXZLYFAZID-UHFFFAOYSA-N
XLogP2.29
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 99710479) is N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)Nc1c[nH]c(=O)c(C)c1.
What is the InChIKey of N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is PJNMOXZLYFAZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-6-3-8(5-13-11(6)17)15-10(16)4-9-7(2)14-12(18)19-9/h3,5H,4H2,1-2H3,(H,13,17)(H,14,18)(H,15,16).
What are the key properties of N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 295.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6-oxo-1H-pyridin-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 99710479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).