N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide

C10H14F3N3OS — CID 96547263

IUPACN-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1cnsn1
InChIInChI=1S/C10H14F3N3OS/c1-6(2)7(3)16(5-10(11,12)13)9(17)8-4-14-18-15-8/h4,6-7H,5H2,1-3H3/t7-/m0/s1
InChIKeyADFRLYJXBZUIQL-ZETCQYMHSA-N
MW281.30 g/mol
LogP2.59
Rot. Bonds4

About N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide

N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 96547263) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID96547263
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1cnsn1
InChIInChI=1S/C10H14F3N3OS/c1-6(2)7(3)16(5-10(11,12)13)9(17)8-4-14-18-15-8/h4,6-7H,5H2,1-3H3/t7-/m0/s1
InChIKeyADFRLYJXBZUIQL-ZETCQYMHSA-N
XLogP2.59
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide (CID 96547263) is N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide is CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1cnsn1.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is ADFRLYJXBZUIQL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-6(2)7(3)16(5-10(11,12)13)9(17)8-4-14-18-15-8/h4,6-7H,5H2,1-3H3/t7-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide?
N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 281.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 96547263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).