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

C10H15F2N3O2S — CID 106512272

IUPAC4-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C10H15F2N3O2S/c1-9(2,3)7-6(18-15-14-7)8(17)13-4-10(11,12)5-16/h16H,4-5H2,1-3H3,(H,13,17)
InChIKeyMGVOJCSZCBIIBI-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.19
Rot. Bonds4

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

4-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide (PubChem CID 106512272) has the molecular formula C10H15F2N3O2S and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide
PubChem CID106512272
Molecular FormulaC10H15F2N3O2S
Molecular Weight279.31 g/mol
Exact Mass279.09
IUPAC Name4-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C10H15F2N3O2S/c1-9(2,3)7-6(18-15-14-7)8(17)13-4-10(11,12)5-16/h16H,4-5H2,1-3H3,(H,13,17)
InChIKeyMGVOJCSZCBIIBI-UHFFFAOYSA-N
XLogP1.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.19
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-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide (CID 106512272) is 4-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)NCC(F)(F)CO.
What is the InChIKey of 4-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide?
The InChIKey is MGVOJCSZCBIIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2S/c1-9(2,3)7-6(18-15-14-7)8(17)13-4-10(11,12)5-16/h16H,4-5H2,1-3H3,(H,13,17).
What are the key properties of 4-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 106512272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).