2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C11H12N4O2S2 — CID 7184030

IUPAC2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2[nH]c(=O)ncc2C)n1
InChIInChI=1S/C11H12N4O2S2/c1-6-3-12-10(17)15-9(6)18-5-8(16)14-11-13-7(2)4-19-11/h3-4H,5H2,1-2H3,(H,12,15,17)(H,13,14,16)
InChIKeyJTAKKJAACLSLIW-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.57
Rot. Bonds4

About 2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 7184030) has the molecular formula C11H12N4O2S2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID7184030
Molecular FormulaC11H12N4O2S2
Molecular Weight296.38 g/mol
Exact Mass296.04
IUPAC Name2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2[nH]c(=O)ncc2C)n1
InChIInChI=1S/C11H12N4O2S2/c1-6-3-12-10(17)15-9(6)18-5-8(16)14-11-13-7(2)4-19-11/h3-4H,5H2,1-2H3,(H,12,15,17)(H,13,14,16)
InChIKeyJTAKKJAACLSLIW-UHFFFAOYSA-N
XLogP1.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 7184030) is 2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CSc2[nH]c(=O)ncc2C)n1.
What is the InChIKey of 2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is JTAKKJAACLSLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S2/c1-6-3-12-10(17)15-9(6)18-5-8(16)14-11-13-7(2)4-19-11/h3-4H,5H2,1-2H3,(H,12,15,17)(H,13,14,16).
What are the key properties of 2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 296.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7184030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).