3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

C14H17F2N5OS2 — CID 8927346

IUPAC3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCc2c(C)nc(SC(F)F)nc2C)s1
InChIInChI=1S/C14H17F2N5OS2/c1-4-11-20-21-14(23-11)19-10(22)6-5-9-7(2)17-13(18-8(9)3)24-12(15)16/h12H,4-6H2,1-3H3,(H,19,21,22)
InChIKeyRXUAOTKRMCSGOX-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.39
Rot. Bonds7

About 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 8927346) has the molecular formula C14H17F2N5OS2 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID8927346
Molecular FormulaC14H17F2N5OS2
Molecular Weight373.45 g/mol
Exact Mass373.08
IUPAC Name3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCc2c(C)nc(SC(F)F)nc2C)s1
InChIInChI=1S/C14H17F2N5OS2/c1-4-11-20-21-14(23-11)19-10(22)6-5-9-7(2)17-13(18-8(9)3)24-12(15)16/h12H,4-6H2,1-3H3,(H,19,21,22)
InChIKeyRXUAOTKRMCSGOX-UHFFFAOYSA-N
XLogP3.39
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 8927346) is 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)CCc2c(C)nc(SC(F)F)nc2C)s1.
What is the InChIKey of 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is RXUAOTKRMCSGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5OS2/c1-4-11-20-21-14(23-11)19-10(22)6-5-9-7(2)17-13(18-8(9)3)24-12(15)16/h12H,4-6H2,1-3H3,(H,19,21,22).
What are the key properties of 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 373.45 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethylsulfanyl)-4,6-dimethylpyrimidin-5-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 8927346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).