4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide

C10H14F3N3O2S — CID 103187265

IUPAC4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-9(2,3)7-6(19-16-15-7)8(18)14-4-5(17)10(11,12)13/h5,17H,4H2,1-3H3,(H,14,18)
InChIKeyZHTKGBWXPHAVSP-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.49
Rot. Bonds3

About 4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide

4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide (PubChem CID 103187265) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
PubChem CID103187265
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2S/c1-9(2,3)7-6(19-16-15-7)8(18)14-4-5(17)10(11,12)13/h5,17H,4H2,1-3H3,(H,14,18)
InChIKeyZHTKGBWXPHAVSP-UHFFFAOYSA-N
XLogP1.49
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide (CID 103187265) is 4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
The InChIKey is ZHTKGBWXPHAVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-9(2,3)7-6(19-16-15-7)8(18)14-4-5(17)10(11,12)13/h5,17H,4H2,1-3H3,(H,14,18).
What are the key properties of 4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide has a molecular weight of 297.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 103187265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).