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

C13H17N5OS2 — CID 694062

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1
InChIInChI=1S/C13H17N5OS2/c1-4-5-11-17-18-13(21-11)16-10(19)7-20-12-14-8(2)6-9(3)15-12/h6H,4-5,7H2,1-3H3,(H,16,18,19)
InChIKeyKSQTWSGKNRZXHB-UHFFFAOYSA-N
MW323.45 g/mol
LogP2.63
Rot. Bonds6

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

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 694062) 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-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID694062
Molecular FormulaC13H17N5OS2
Molecular Weight323.45 g/mol
Exact Mass323.09
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1
InChIInChI=1S/C13H17N5OS2/c1-4-5-11-17-18-13(21-11)16-10(19)7-20-12-14-8(2)6-9(3)15-12/h6H,4-5,7H2,1-3H3,(H,16,18,19)
InChIKeyKSQTWSGKNRZXHB-UHFFFAOYSA-N
XLogP2.63
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 52.63
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-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 694062) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is KSQTWSGKNRZXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS2/c1-4-5-11-17-18-13(21-11)16-10(19)7-20-12-14-8(2)6-9(3)15-12/h6H,4-5,7H2,1-3H3,(H,16,18,19).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 323.45 g/mol, XLogP of 2.63, 6 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-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 694062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).