N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide

C12H12N4O2S2 — CID 9458263

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(=O)c1sc(NC(=O)CSc2ncccn2)nc1C
InChIInChI=1S/C12H12N4O2S2/c1-7-10(8(2)17)20-12(15-7)16-9(18)6-19-11-13-4-3-5-14-11/h3-5H,6H2,1-2H3,(H,15,16,18)
InChIKeyJXPFMMOKYPSQSN-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.17
Rot. Bonds5

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 9458263) has the molecular formula C12H12N4O2S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID9458263
Molecular FormulaC12H12N4O2S2
Molecular Weight308.39 g/mol
Exact Mass308.04
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCC(=O)c1sc(NC(=O)CSc2ncccn2)nc1C
InChIInChI=1S/C12H12N4O2S2/c1-7-10(8(2)17)20-12(15-7)16-9(18)6-19-11-13-4-3-5-14-11/h3-5H,6H2,1-2H3,(H,15,16,18)
InChIKeyJXPFMMOKYPSQSN-UHFFFAOYSA-N
XLogP2.17
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 9458263) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is CC(=O)c1sc(NC(=O)CSc2ncccn2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is JXPFMMOKYPSQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S2/c1-7-10(8(2)17)20-12(15-7)16-9(18)6-19-11-13-4-3-5-14-11/h3-5H,6H2,1-2H3,(H,15,16,18).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 308.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 9458263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).