N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide

C12H7F6N3OS — CID 2804290

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H7F6N3OS/c1-5-9(23-21-20-5)10(22)19-8-3-6(11(13,14)15)2-7(4-8)12(16,17)18/h2-4H,1H3,(H,19,22)
InChIKeyDBYMLLCEOSIDFZ-UHFFFAOYSA-N
MW355.26 g/mol
LogP4.14
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 2804290) has the molecular formula C12H7F6N3OS and a molecular weight of 355.26 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID2804290
Molecular FormulaC12H7F6N3OS
Molecular Weight355.26 g/mol
Exact Mass355.02
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H7F6N3OS/c1-5-9(23-21-20-5)10(22)19-8-3-6(11(13,14)15)2-7(4-8)12(16,17)18/h2-4H,1H3,(H,19,22)
InChIKeyDBYMLLCEOSIDFZ-UHFFFAOYSA-N
XLogP4.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide (CID 2804290) is N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is DBYMLLCEOSIDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6N3OS/c1-5-9(23-21-20-5)10(22)19-8-3-6(11(13,14)15)2-7(4-8)12(16,17)18/h2-4H,1H3,(H,19,22).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 355.26 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 2804290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).