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

C12H15N5OS3 — CID 2059454

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1
InChIInChI=1S/C12H15N5OS3/c1-4-19-12-17-16-11(21-12)15-9(18)6-20-10-13-7(2)5-8(3)14-10/h5H,4,6H2,1-3H3,(H,15,16,18)
InChIKeyWQSQNXBIBZGDGI-UHFFFAOYSA-N
MW341.49 g/mol
LogP2.79
Rot. Bonds6

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2059454) has the molecular formula C12H15N5OS3 and a molecular weight of 341.49 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2059454
Molecular FormulaC12H15N5OS3
Molecular Weight341.49 g/mol
Exact Mass341.04
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1
InChIInChI=1S/C12H15N5OS3/c1-4-19-12-17-16-11(21-12)15-9(18)6-20-10-13-7(2)5-8(3)14-10/h5H,4,6H2,1-3H3,(H,15,16,18)
InChIKeyWQSQNXBIBZGDGI-UHFFFAOYSA-N
XLogP2.79
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

2-(5,7-Dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 24792315
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(4H-1,2,4-triazol-4-yl)acetamide
CID 899467
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetamide
CID 840853
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 648912
N-(4,6-dimethylpyrimidin-2-yl)-2-[(4-methyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 663032
5-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 2952996
2-[[5-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3146090
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2088461
2-[[5-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3167546
Ethyl [5-({2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]butanoyl}amino)-1,3,4-thiadiazol-2-yl]acetate
CID 5134529
2-(4,6-dimethylpyrimidin-2-yl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one
CID 53324607
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8002410

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide (CID 2059454) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is CCSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WQSQNXBIBZGDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS3/c1-4-19-12-17-16-11(21-12)15-9(18)6-20-10-13-7(2)5-8(3)14-10/h5H,4,6H2,1-3H3,(H,15,16,18).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 341.49 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2059454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).