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

C13H17N5OS2 — CID 2170624

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nnc(C(C)C)s2)n1
InChIInChI=1S/C13H17N5OS2/c1-7(2)11-17-18-13(21-11)16-10(19)6-20-12-14-8(3)5-9(4)15-12/h5,7H,6H2,1-4H3,(H,16,18,19)
InChIKeyVBNVRHJARNEQRY-UHFFFAOYSA-N
MW323.45 g/mol
LogP2.80
Rot. Bonds5

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 2170624) has the molecular formula C13H17N5OS2 and a molecular weight of 323.45 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID2170624
Molecular FormulaC13H17N5OS2
Molecular Weight323.45 g/mol
Exact Mass323.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nc2nnc(C(C)C)s2)n1
InChIInChI=1S/C13H17N5OS2/c1-7(2)11-17-18-13(21-11)16-10(19)6-20-12-14-8(3)5-9(4)15-12/h5,7H,6H2,1-4H3,(H,16,18,19)
InChIKeyVBNVRHJARNEQRY-UHFFFAOYSA-N
XLogP2.80
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 2170624) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is Cc1cc(C)nc(SCC(=O)Nc2nnc(C(C)C)s2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is VBNVRHJARNEQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS2/c1-7(2)11-17-18-13(21-11)16-10(19)6-20-12-14-8(3)5-9(4)15-12/h5,7H,6H2,1-4H3,(H,16,18,19).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 323.45 g/mol, XLogP of 2.80, 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-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 2170624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).