N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C12H11F2N7OS — CID 86843780

IUPACN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCc1cc(C)n2nc(CC(=O)Nc3nnc(C(F)F)s3)nc2n1
InChIInChI=1S/C12H11F2N7OS/c1-5-3-6(2)21-11(15-5)16-7(20-21)4-8(22)17-12-19-18-10(23-12)9(13)14/h3,9H,4H2,1-2H3,(H,17,19,22)
InChIKeyYJJJCFMFCQLTOM-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.71
Rot. Bonds4

About N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 86843780) has the molecular formula C12H11F2N7OS and a molecular weight of 339.33 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID86843780
Molecular FormulaC12H11F2N7OS
Molecular Weight339.33 g/mol
Exact Mass339.07
IUPAC NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCc1cc(C)n2nc(CC(=O)Nc3nnc(C(F)F)s3)nc2n1
InChIInChI=1S/C12H11F2N7OS/c1-5-3-6(2)21-11(15-5)16-7(20-21)4-8(22)17-12-19-18-10(23-12)9(13)14/h3,9H,4H2,1-2H3,(H,17,19,22)
InChIKeyYJJJCFMFCQLTOM-UHFFFAOYSA-N
XLogP1.71
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 86843780) is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is Cc1cc(C)n2nc(CC(=O)Nc3nnc(C(F)F)s3)nc2n1.
What is the InChIKey of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is YJJJCFMFCQLTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N7OS/c1-5-3-6(2)21-11(15-5)16-7(20-21)4-8(22)17-12-19-18-10(23-12)9(13)14/h3,9H,4H2,1-2H3,(H,17,19,22).
What are the key properties of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 339.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 86843780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).