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

C6H6F3N3O2S — CID 103726419

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cnns1
InChIInChI=1S/C6H6F3N3O2S/c7-6(8,9)4(13)2-10-5(14)3-1-11-12-15-3/h1,4,13H,2H2,(H,10,14)
InChIKeyRXGBCRJKOKUNPW-UHFFFAOYSA-N
MW241.19 g/mol
LogP0.19
Rot. Bonds3

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

N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide (PubChem CID 103726419) has the molecular formula C6H6F3N3O2S and a molecular weight of 241.19 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
PubChem CID103726419
Molecular FormulaC6H6F3N3O2S
Molecular Weight241.19 g/mol
Exact Mass241.01
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1cnns1
InChIInChI=1S/C6H6F3N3O2S/c7-6(8,9)4(13)2-10-5(14)3-1-11-12-15-3/h1,4,13H,2H2,(H,10,14)
InChIKeyRXGBCRJKOKUNPW-UHFFFAOYSA-N
XLogP0.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide (CID 103726419) is N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide is O=C(NCC(O)C(F)(F)F)c1cnns1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
The InChIKey is RXGBCRJKOKUNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2S/c7-6(8,9)4(13)2-10-5(14)3-1-11-12-15-3/h1,4,13H,2H2,(H,10,14).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide has a molecular weight of 241.19 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 103726419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).