2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide

C6H7F2N3OS — CID 130855459

IUPAC2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCc1nsc(NC(=O)C(C)(F)F)n1
InChIInChI=1S/C6H7F2N3OS/c1-3-9-5(13-11-3)10-4(12)6(2,7)8/h1-2H3,(H,9,10,11,12)
InChIKeyVYRPLAMGVKUKAX-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.44
Rot. Bonds2

About 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide

2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 130855459) has the molecular formula C6H7F2N3OS and a molecular weight of 207.20 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID130855459
Molecular FormulaC6H7F2N3OS
Molecular Weight207.20 g/mol
Exact Mass207.03
IUPAC Name2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCc1nsc(NC(=O)C(C)(F)F)n1
InChIInChI=1S/C6H7F2N3OS/c1-3-9-5(13-11-3)10-4(12)6(2,7)8/h1-2H3,(H,9,10,11,12)
InChIKeyVYRPLAMGVKUKAX-UHFFFAOYSA-N
XLogP1.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-sulfanylpropanamide
CID 107035956
2,2,2-trichloroethyl N-(3-methyl-1,2,4-thiadiazol-5-yl)carbamate
CID 86625501
N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 116658033
2-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)butanamide
CID 115976440
4-(2-hydroxypropan-2-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46989669
4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 113253817
N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-propan-2-yloxyacetamide
CID 115661266
3-methyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butanoic acid
CID 65267662
1-cyclopentyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
CID 104700593
3-methyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
CID 106294311
4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 115745910
3-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 91900874

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide (CID 130855459) is 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide is Cc1nsc(NC(=O)C(C)(F)F)n1.
What is the InChIKey of 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is VYRPLAMGVKUKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3OS/c1-3-9-5(13-11-3)10-4(12)6(2,7)8/h1-2H3,(H,9,10,11,12).
What are the key properties of 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide?
2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 207.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 130855459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).