N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide

C7H9F2N3OS — CID 126792225

IUPACN-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide
SMILESCC(NC(=O)c1csnn1)C(C)(F)F
InChIInChI=1S/C7H9F2N3OS/c1-4(7(2,8)9)10-6(13)5-3-14-12-11-5/h3-4H,1-2H3,(H,10,13)
InChIKeyJJJOZVQFYCWROW-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.31
Rot. Bonds3

About N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide

N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide (PubChem CID 126792225) has the molecular formula C7H9F2N3OS and a molecular weight of 221.23 g/mol. Its IUPAC name is N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide
PubChem CID126792225
Molecular FormulaC7H9F2N3OS
Molecular Weight221.23 g/mol
Exact Mass221.04
IUPAC NameN-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide
SMILESCC(NC(=O)c1csnn1)C(C)(F)F
InChIInChI=1S/C7H9F2N3OS/c1-4(7(2,8)9)10-6(13)5-3-14-12-11-5/h3-4H,1-2H3,(H,10,13)
InChIKeyJJJOZVQFYCWROW-UHFFFAOYSA-N
XLogP1.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide?
The IUPAC name of N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide (CID 126792225) is N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide is CC(NC(=O)c1csnn1)C(C)(F)F.
What is the InChIKey of N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide?
The InChIKey is JJJOZVQFYCWROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3OS/c1-4(7(2,8)9)10-6(13)5-3-14-12-11-5/h3-4H,1-2H3,(H,10,13).
What are the key properties of N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide?
N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide has a molecular weight of 221.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide is sourced from PubChem (CID 126792225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).