4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

C6H6F3N3OS — CID 45497137

IUPAC4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(F)(F)F
InChIInChI=1S/C6H6F3N3OS/c1-3-4(14-12-11-3)5(13)10-2-6(7,8)9/h2H2,1H3,(H,10,13)
InChIKeyMQDTZXDLGAXDMK-UHFFFAOYSA-N
MW225.19 g/mol
LogP1.14
Rot. Bonds2

About 4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (PubChem CID 45497137) has the molecular formula C6H6F3N3OS and a molecular weight of 225.19 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
PubChem CID45497137
Molecular FormulaC6H6F3N3OS
Molecular Weight225.19 g/mol
Exact Mass225.02
IUPAC Name4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(F)(F)F
InChIInChI=1S/C6H6F3N3OS/c1-3-4(14-12-11-3)5(13)10-2-6(7,8)9/h2H2,1H3,(H,10,13)
InChIKeyMQDTZXDLGAXDMK-UHFFFAOYSA-N
XLogP1.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (CID 45497137) is 4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The InChIKey is MQDTZXDLGAXDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3OS/c1-3-4(14-12-11-3)5(13)10-2-6(7,8)9/h2H2,1H3,(H,10,13).
What are the key properties of 4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide has a molecular weight of 225.19 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 45497137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).