N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide

C8H9F3N4OS — CID 86987803

IUPACN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)N1CCCC1
InChIInChI=1S/C8H9F3N4OS/c9-8(10,11)5-13-14-6(17-5)12-7(16)15-3-1-2-4-15/h1-4H2,(H,12,14,16)
InChIKeyATEOKXXOLMWZME-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.18
Rot. Bonds1

About N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide

N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 86987803) has the molecular formula C8H9F3N4OS and a molecular weight of 266.25 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID86987803
Molecular FormulaC8H9F3N4OS
Molecular Weight266.25 g/mol
Exact Mass266.04
IUPAC NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)N1CCCC1
InChIInChI=1S/C8H9F3N4OS/c9-8(10,11)5-13-14-6(17-5)12-7(16)15-3-1-2-4-15/h1-4H2,(H,12,14,16)
InChIKeyATEOKXXOLMWZME-UHFFFAOYSA-N
XLogP2.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide (CID 86987803) is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide is O=C(Nc1nnc(C(F)(F)F)s1)N1CCCC1.
What is the InChIKey of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is ATEOKXXOLMWZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4OS/c9-8(10,11)5-13-14-6(17-5)12-7(16)15-3-1-2-4-15/h1-4H2,(H,12,14,16).
What are the key properties of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide?
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 86987803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).