2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C16H15N5OS2 — CID 1247381

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nnc(-c3ccccc3)s2)n1
InChIInChI=1S/C16H15N5OS2/c1-10-8-11(2)18-15(17-10)23-9-13(22)19-16-21-20-14(24-16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,19,21,22)
InChIKeyNKRYXGWNTSWWIN-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.34
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1247381) has the molecular formula C16H15N5OS2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1247381
Molecular FormulaC16H15N5OS2
Molecular Weight357.46 g/mol
Exact Mass357.07
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nnc(-c3ccccc3)s2)n1
InChIInChI=1S/C16H15N5OS2/c1-10-8-11(2)18-15(17-10)23-9-13(22)19-16-21-20-14(24-16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,19,21,22)
InChIKeyNKRYXGWNTSWWIN-UHFFFAOYSA-N
XLogP3.34
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

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Related Compounds

VU0240551
CID 7211972
2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide
CID 5076223
Stk090461
CID 2354999
N-(3,5-dimethylphenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 2587228
N-benzyl-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]propanamide
CID 4117175
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1273744
2-[(1-phenyl-1H-tetrazol-5-yl)thio]-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
CID 1589754
2-((5,6-DI-PH-1,2,4-Triazin-3-YL)thio)-N-(5-ET-1,3,4-thiadiazol-2-YL)acetamide
CID 6402818
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-m-tolyl-acetamide
CID 650453
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 651614
2-(5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 655607
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-(2-phenyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1155576

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 1247381) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1cc(C)nc(SCC(=O)Nc2nnc(-c3ccccc3)s2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is NKRYXGWNTSWWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS2/c1-10-8-11(2)18-15(17-10)23-9-13(22)19-16-21-20-14(24-16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 357.46 g/mol, XLogP of 3.34, 5 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-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1247381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).