2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide

C11H11N5O3S2 — CID 592835

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncc([N+](=O)[O-])s2)n1
InChIInChI=1S/C11H11N5O3S2/c1-6-3-7(2)14-11(13-6)20-5-8(17)15-10-12-4-9(21-10)16(18)19/h3-4H,5H2,1-2H3,(H,12,15,17)
InChIKeyLCRBXYLVNUCIFC-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.19
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 592835) has the molecular formula C11H11N5O3S2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID592835
Molecular FormulaC11H11N5O3S2
Molecular Weight325.38 g/mol
Exact Mass325.03
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2ncc([N+](=O)[O-])s2)n1
InChIInChI=1S/C11H11N5O3S2/c1-6-3-7(2)14-11(13-6)20-5-8(17)15-10-12-4-9(21-10)16(18)19/h3-4H,5H2,1-2H3,(H,12,15,17)
InChIKeyLCRBXYLVNUCIFC-UHFFFAOYSA-N
XLogP2.19
TPSA110.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 691775
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)butanamide
CID 16487936
2-{[4-Methyl-6-(trifluoromethyl)pyrimidin-2-YL]sulfanyl}-N-(1,3-thiazol-2-YL)acetamide
CID 1255929
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 47110332
1-(3-((4,6-Dimethylpyrimidin-2-yl)thio)propyl)-3-(thiazol-2-yl)urea
CID 18584299
3-((4,6-dimethylpyrimidin-2-yl)amino)-N-(thiazol-2-yl)propanamide
CID 71702074
2-((4,6-dimethylpyrimidin-2-yl)amino)-N-(5-methylthiazol-2-yl)acetamide
CID 71710289
4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-ylthio]-N-(1,3-thiazol-2-yl)butanam ide
CID 16443274
2-{[({2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}amino)carbonyl]amino}-N-1,3-thiazol-2-ylacetamide
CID 121504071
2-(4-methylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 888535
N-[5-[(E)-(2-chloropyrimidin-4-yl)methylideneamino]-1,3-thiazol-2-yl]acetamide
CID 143757530
2-[(4,6-Dimethylpyrimidin-2-YL)sulfanyl]-N-(1,3-thiazol-2-YL)propanamide
CID 23772385

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 592835) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide is Cc1cc(C)nc(SCC(=O)Nc2ncc([N+](=O)[O-])s2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is LCRBXYLVNUCIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S2/c1-6-3-7(2)14-11(13-6)20-5-8(17)15-10-12-4-9(21-10)16(18)19/h3-4H,5H2,1-2H3,(H,12,15,17).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 325.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 592835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).