4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide

C15H17F2N3OS2 — CID 135153418

IUPAC4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide
SMILESCC(C)SC(C)c1ccccc1NC(=O)c1snnc1C(F)F
InChIInChI=1S/C15H17F2N3OS2/c1-8(2)22-9(3)10-6-4-5-7-11(10)18-15(21)13-12(14(16)17)19-20-23-13/h4-9,14H,1-3H3,(H,18,21)
InChIKeyZUBKMFZNAUVYSN-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.93
Rot. Bonds6

About 4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide

4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide (PubChem CID 135153418) has the molecular formula C15H17F2N3OS2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide
PubChem CID135153418
Molecular FormulaC15H17F2N3OS2
Molecular Weight357.45 g/mol
Exact Mass357.08
IUPAC Name4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide
SMILESCC(C)SC(C)c1ccccc1NC(=O)c1snnc1C(F)F
InChIInChI=1S/C15H17F2N3OS2/c1-8(2)22-9(3)10-6-4-5-7-11(10)18-15(21)13-12(14(16)17)19-20-23-13/h4-9,14H,1-3H3,(H,18,21)
InChIKeyZUBKMFZNAUVYSN-UHFFFAOYSA-N
XLogP4.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide (CID 135153418) is 4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide is CC(C)SC(C)c1ccccc1NC(=O)c1snnc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is ZUBKMFZNAUVYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3OS2/c1-8(2)22-9(3)10-6-4-5-7-11(10)18-15(21)13-12(14(16)17)19-20-23-13/h4-9,14H,1-3H3,(H,18,21).
What are the key properties of 4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide?
4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 135153418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).