N-(2,2-difluoroethyl)thiadiazole-4-carboxamide

C5H5F2N3OS — CID 126996511

IUPACN-(2,2-difluoroethyl)thiadiazole-4-carboxamide
SMILESO=C(NCC(F)F)c1csnn1
InChIInChI=1S/C5H5F2N3OS/c6-4(7)1-8-5(11)3-2-12-10-9-3/h2,4H,1H2,(H,8,11)
InChIKeyJQLRPSKPDJWAHY-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.53
Rot. Bonds3

About N-(2,2-difluoroethyl)thiadiazole-4-carboxamide

N-(2,2-difluoroethyl)thiadiazole-4-carboxamide (PubChem CID 126996511) has the molecular formula C5H5F2N3OS and a molecular weight of 193.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)thiadiazole-4-carboxamide
PubChem CID126996511
Molecular FormulaC5H5F2N3OS
Molecular Weight193.18 g/mol
Exact Mass193.01
IUPAC NameN-(2,2-difluoroethyl)thiadiazole-4-carboxamide
SMILESO=C(NCC(F)F)c1csnn1
InChIInChI=1S/C5H5F2N3OS/c6-4(7)1-8-5(11)3-2-12-10-9-3/h2,4H,1H2,(H,8,11)
InChIKeyJQLRPSKPDJWAHY-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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Related Compounds

N-cyclohexylthiadiazole-4-carboxamide
CID 274293
N-cycloheptylthiadiazole-4-carboxamide
CID 40154556
N-ethylthiadiazole-4-carboxamide
CID 274291
N-(3,3,3-trifluoro-2-hydroxypropyl)thiadiazole-4-carboxamide
CID 103755784
N-(3,3-difluoro-2-hydroxypropyl)thiadiazole-4-carboxamide
CID 103770023
N-(2,2-difluoro-3-hydroxypropyl)thiadiazole-4-carboxamide
CID 104858094
N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide
CID 107491295
N-(2-bromoethyl)-N-(2,2-difluoroethyl)thiadiazole-4-carboxamide
CID 107491824
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide
CID 107492206
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiadiazole-4-carboxamide
CID 107492588
N-(3-amino-2,2-difluoropropyl)thiadiazole-4-carboxamide
CID 114383632
N-(3-amino-2,2-difluoropropyl)thiadiazole-4-carboxamide;hydrochloride
CID 120411673

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)thiadiazole-4-carboxamide (CID 126996511) is N-(2,2-difluoroethyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)thiadiazole-4-carboxamide is O=C(NCC(F)F)c1csnn1.
What is the InChIKey of N-(2,2-difluoroethyl)thiadiazole-4-carboxamide?
The InChIKey is JQLRPSKPDJWAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3OS/c6-4(7)1-8-5(11)3-2-12-10-9-3/h2,4H,1H2,(H,8,11).
What are the key properties of N-(2,2-difluoroethyl)thiadiazole-4-carboxamide?
N-(2,2-difluoroethyl)thiadiazole-4-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-4-carboxamide is sourced from PubChem (CID 126996511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).