N-(2,2-difluoroethyl)thiadiazole-5-carboxamide

C5H5F2N3OS — CID 130945825

IUPACN-(2,2-difluoroethyl)thiadiazole-5-carboxamide
SMILESO=C(NCC(F)F)c1cnns1
InChIInChI=1S/C5H5F2N3OS/c6-4(7)2-8-5(11)3-1-9-10-12-3/h1,4H,2H2,(H,8,11)
InChIKeyOAVQPARIQUZWKJ-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.53
Rot. Bonds3

About N-(2,2-difluoroethyl)thiadiazole-5-carboxamide

N-(2,2-difluoroethyl)thiadiazole-5-carboxamide (PubChem CID 130945825) has the molecular formula C5H5F2N3OS and a molecular weight of 193.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)thiadiazole-5-carboxamide
PubChem CID130945825
Molecular FormulaC5H5F2N3OS
Molecular Weight193.18 g/mol
Exact Mass193.01
IUPAC NameN-(2,2-difluoroethyl)thiadiazole-5-carboxamide
SMILESO=C(NCC(F)F)c1cnns1
InChIInChI=1S/C5H5F2N3OS/c6-4(7)2-8-5(11)3-1-9-10-12-3/h1,4H,2H2,(H,8,11)
InChIKeyOAVQPARIQUZWKJ-UHFFFAOYSA-N
XLogP0.53
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)thiadiazole-5-carboxamide (CID 130945825) is N-(2,2-difluoroethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)thiadiazole-5-carboxamide is O=C(NCC(F)F)c1cnns1.
What is the InChIKey of N-(2,2-difluoroethyl)thiadiazole-5-carboxamide?
The InChIKey is OAVQPARIQUZWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3OS/c6-4(7)2-8-5(11)3-1-9-10-12-3/h1,4H,2H2,(H,8,11).
What are the key properties of N-(2,2-difluoroethyl)thiadiazole-5-carboxamide?
N-(2,2-difluoroethyl)thiadiazole-5-carboxamide has a molecular weight of 193.18 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 130945825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).