2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide

C18H19N5OS2 — CID 2946991

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
SMILESCc1ccc(C2=NN=C(NC(=O)CSc3nc(C)cc(C)n3)SC2)cc1
InChIInChI=1S/C18H19N5OS2/c1-11-4-6-14(7-5-11)15-9-25-18(23-22-15)21-16(24)10-26-17-19-12(2)8-13(3)20-17/h4-8H,9-10H2,1-3H3,(H,21,23,24)
InChIKeyQOUIZKFQJSXLDR-UHFFFAOYSA-N
MW385.52 g/mol
LogP3.12
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide (PubChem CID 2946991) has the molecular formula C18H19N5OS2 and a molecular weight of 385.52 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
PubChem CID2946991
Molecular FormulaC18H19N5OS2
Molecular Weight385.52 g/mol
Exact Mass385.10
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
SMILESCc1ccc(C2=NN=C(NC(=O)CSc3nc(C)cc(C)n3)SC2)cc1
InChIInChI=1S/C18H19N5OS2/c1-11-4-6-14(7-5-11)15-9-25-18(23-22-15)21-16(24)10-26-17-19-12(2)8-13(3)20-17/h4-8H,9-10H2,1-3H3,(H,21,23,24)
InChIKeyQOUIZKFQJSXLDR-UHFFFAOYSA-N
XLogP3.12
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide with MolForge

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Related Compounds

Luf-5735
CID 11392960
N-(4,6-diphenylpyrimidin-2-yl)propionamide
CID 11278089
Propanamide, N-(4,6-diphenyl-2-pyrimidinyl)-2-methyl-
CID 11381543
N-(4,5-diphenylpyrimidin-2-yl)acetamide
CID 12253310
6-Benzyl-2-(1-phenylethylsulfanyl)pyrimidin-4-amine
CID 44816741
6-Benzyl-2-(m-tolylmethylsulfanyl)pyrimidin-4-amine
CID 46861691
6-Benzyl-2-phenethylsulfanyl-pyrimidin-4-amine
CID 46889064
6-Benzyl-2-[(4-tert-butylbenzyl)sulfanyl]pyrimidin-4-amine
CID 46889012
6-Benzyl-2-(benzylsulfanyl)pyrimidin-4-amine
CID 46889062
6-Benzyl-2-(3-phenylpropylsulfanyl)pyrimidin-4-amine
CID 46889090
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide
CID 6861951
2-(4-Methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 722455

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide (CID 2946991) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide is Cc1ccc(C2=NN=C(NC(=O)CSc3nc(C)cc(C)n3)SC2)cc1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide?
The InChIKey is QOUIZKFQJSXLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS2/c1-11-4-6-14(7-5-11)15-9-25-18(23-22-15)21-16(24)10-26-17-19-12(2)8-13(3)20-17/h4-8H,9-10H2,1-3H3,(H,21,23,24).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide has a molecular weight of 385.52 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide is sourced from PubChem (CID 2946991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).