2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen

C12H16N4OS2 — CID 142152353

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen
SMILESCc1cc(C)nc(SCC(=O)NC2=NC=CCS2)n1.[H][H]
InChIInChI=1S/C12H14N4OS2.H2/c1-8-6-9(2)15-12(14-8)19-7-10(17)16-11-13-4-3-5-18-11;/h3-4,6H,5,7H2,1-2H3,(H,13,16,17);1H
InChIKeyBJZVEXZRGCQKNY-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.16
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen (PubChem CID 142152353) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen
PubChem CID142152353
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen
SMILESCc1cc(C)nc(SCC(=O)NC2=NC=CCS2)n1.[H][H]
InChIInChI=1S/C12H14N4OS2.H2/c1-8-6-9(2)15-12(14-8)19-7-10(17)16-11-13-4-3-5-18-11;/h3-4,6H,5,7H2,1-2H3,(H,13,16,17);1H
InChIKeyBJZVEXZRGCQKNY-UHFFFAOYSA-N
XLogP2.16
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]acetohydrazide
CID 668161
3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-ethylpropanamide
CID 6483849
N-(Cyclopentylideneamino)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide
CID 696369
(4,5-Dihydro-thiazol-2-yl)-(4,6-dimethyl-pyrimidin-2-yl)-amine
CID 899477
2-((4,6-Dimethylpyrimidin-2-yl)thio)acetamide
CID 840853
3-[(4,6-dimethyl-2-pyrimidinyl)thio]-N,N-dimethylpropanamide
CID 653464
N-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 663032
N-(5-methyl-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 2976289
N-(4,6-dimethylpyrimidin-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3589326
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-diethylacetamide
CID 695459
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 975959
2-(4,6-dimethylpyrimidin-2-ylthio)-N-cyclopentylacetamide
CID 2772852

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen (CID 142152353) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen is Cc1cc(C)nc(SCC(=O)NC2=NC=CCS2)n1.[H][H].
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen?
The InChIKey is BJZVEXZRGCQKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2.H2/c1-8-6-9(2)15-12(14-8)19-7-10(17)16-11-13-4-3-5-18-11;/h3-4,6H,5,7H2,1-2H3,(H,13,16,17);1H.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen has a molecular weight of 296.42 g/mol, XLogP of 2.16, 3 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-(6H-1,3-thiazin-2-yl)acetamide;molecular hydrogen is sourced from PubChem (CID 142152353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).