N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide

C6H3F2N3OS — CID 130744096

IUPACN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide
SMILESC#CC(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C6H3F2N3OS/c1-2-3(12)9-6-11-10-5(13-6)4(7)8/h1,4H,(H,9,11,12)
InChIKeyVIHPCWZNQFXSAU-UHFFFAOYSA-N
MW203.17 g/mol
LogP1.05
Rot. Bonds2

About N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide

N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide (PubChem CID 130744096) has the molecular formula C6H3F2N3OS and a molecular weight of 203.17 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide
PubChem CID130744096
Molecular FormulaC6H3F2N3OS
Molecular Weight203.17 g/mol
Exact Mass203.00
IUPAC NameN-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide
SMILESC#CC(=O)Nc1nnc(C(F)F)s1
InChIInChI=1S/C6H3F2N3OS/c1-2-3(12)9-6-11-10-5(13-6)4(7)8/h1,4H,(H,9,11,12)
InChIKeyVIHPCWZNQFXSAU-UHFFFAOYSA-N
XLogP1.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987466
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120642
(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide
CID 120625071
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-(methylamino)butanamide
CID 119745205
methyl 2-[2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethoxy]acetate
CID 126807007
4-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide;hydrochloride
CID 120561104
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119301351
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 111537274
(2R,5S)-5-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 126816631
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111926150
2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 47799641
1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 47753024

Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide?
The IUPAC name of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide (CID 130744096) is N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide?
The canonical SMILES for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide is C#CC(=O)Nc1nnc(C(F)F)s1.
What is the InChIKey of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide?
The InChIKey is VIHPCWZNQFXSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2N3OS/c1-2-3(12)9-6-11-10-5(13-6)4(7)8/h1,4H,(H,9,11,12).
What are the key properties of N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide?
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide has a molecular weight of 203.17 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-ynamide is sourced from PubChem (CID 130744096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).