4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

C11H16F3N3O2S — CID 107483446

IUPAC4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2S/c1-10(2,3)8-7(20-16-15-8)9(19)17(4-5-18)6-11(12,13)14/h18H,4-6H2,1-3H3
InChIKeyUSHRLCCXUDOPRA-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.83
Rot. Bonds4

About 4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide

4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (PubChem CID 107483446) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
PubChem CID107483446
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2S/c1-10(2,3)8-7(20-16-15-8)9(19)17(4-5-18)6-11(12,13)14/h18H,4-6H2,1-3H3
InChIKeyUSHRLCCXUDOPRA-UHFFFAOYSA-N
XLogP1.83
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide (CID 107483446) is 4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
The InChIKey is USHRLCCXUDOPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c1-10(2,3)8-7(20-16-15-8)9(19)17(4-5-18)6-11(12,13)14/h18H,4-6H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide has a molecular weight of 311.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 107483446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).