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

C11H5F6N3OS — CID 2739115

IUPACN-[3,5-bis(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1csnn1
InChIInChI=1S/C11H5F6N3OS/c12-10(13,14)5-1-6(11(15,16)17)3-7(2-5)18-9(21)8-4-22-20-19-8/h1-4H,(H,18,21)
InChIKeyNVNMSOXMMMMSNR-UHFFFAOYSA-N
MW341.24 g/mol
LogP3.83
Rot. Bonds2

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

N-[3,5-bis(trifluoromethyl)phenyl]thiadiazole-4-carboxamide (PubChem CID 2739115) has the molecular formula C11H5F6N3OS and a molecular weight of 341.24 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
PubChem CID2739115
Molecular FormulaC11H5F6N3OS
Molecular Weight341.24 g/mol
Exact Mass341.01
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]thiadiazole-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1csnn1
InChIInChI=1S/C11H5F6N3OS/c12-10(13,14)5-1-6(11(15,16)17)3-7(2-5)18-9(21)8-4-22-20-19-8/h1-4H,(H,18,21)
InChIKeyNVNMSOXMMMMSNR-UHFFFAOYSA-N
XLogP3.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 53.83
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]thiadiazole-4-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]thiadiazole-4-carboxamide (CID 2739115) is N-[3,5-bis(trifluoromethyl)phenyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]thiadiazole-4-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1csnn1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
The InChIKey is NVNMSOXMMMMSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6N3OS/c12-10(13,14)5-1-6(11(15,16)17)3-7(2-5)18-9(21)8-4-22-20-19-8/h1-4H,(H,18,21).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]thiadiazole-4-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]thiadiazole-4-carboxamide has a molecular weight of 341.24 g/mol, XLogP of 3.83, 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]thiadiazole-4-carboxamide is sourced from PubChem (CID 2739115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).