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

C11H12N4OS2 — CID 691775

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nccs2)n1
InChIInChI=1S/C11H12N4OS2/c1-7-5-8(2)14-11(13-7)18-6-9(16)15-10-12-3-4-17-10/h3-5H,6H2,1-2H3,(H,12,15,16)
InChIKeyGOMHGKCYZHHFBQ-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.28
Rot. Bonds4

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 691775) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID691775
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nccs2)n1
InChIInChI=1S/C11H12N4OS2/c1-7-5-8(2)14-11(13-7)18-6-9(16)15-10-12-3-4-17-10/h3-5H,6H2,1-2H3,(H,12,15,16)
InChIKeyGOMHGKCYZHHFBQ-UHFFFAOYSA-N
XLogP2.28
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl [2-({[(4,6-dimethylpyrimidin-2-yl)thio]acetyl}amino)-1,3-thiazol-5-yl]acetate
CID 2772551
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-thiazol-2-yl-acetamide
CID 3168354
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)butanamide
CID 16487936
N-(4,6-dimethyl-2-pyrimidinyl)-2-[(4-methyl-2-pyrimidinyl)sulfanyl]acetamide
CID 888739
N-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylthioacetamide
CID 951221
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-pyrimidinyl)acetamide
CID 672416
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-[2-(1,3-Thiazol-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone
CID 118739882
N-[5-[[4-[2-(6-methylpyrimidin-4-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377633
N-[5-[[4-[2-[6-(trifluoromethyl)pyrimidin-4-yl]ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377643
2-((5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-1,3,4-oxadiazol-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 1600390

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 691775) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is Cc1cc(C)nc(SCC(=O)Nc2nccs2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is GOMHGKCYZHHFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c1-7-5-8(2)14-11(13-7)18-6-9(16)15-10-12-3-4-17-10/h3-5H,6H2,1-2H3,(H,12,15,16).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 280.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 691775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).