N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

C12H9F2N5OS — CID 110385800

IUPACN-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESO=C(CCc1nn2cnnc2s1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H9F2N5OS/c13-8-2-1-7(5-9(8)14)16-10(20)3-4-11-18-19-6-15-17-12(19)21-11/h1-2,5-6H,3-4H2,(H,16,20)
InChIKeyBARKNWGPPZLNHP-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.04
Rot. Bonds4

About N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385800) has the molecular formula C12H9F2N5OS and a molecular weight of 309.30 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385800
Molecular FormulaC12H9F2N5OS
Molecular Weight309.30 g/mol
Exact Mass309.05
IUPAC NameN-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESO=C(CCc1nn2cnnc2s1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H9F2N5OS/c13-8-2-1-7(5-9(8)14)16-10(20)3-4-11-18-19-6-15-17-12(19)21-11/h1-2,5-6H,3-4H2,(H,16,20)
InChIKeyBARKNWGPPZLNHP-UHFFFAOYSA-N
XLogP2.04
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385697
N-(4-cyanophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385796
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-[2-(2,4-dichlorophenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385692
N-tert-butyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385681
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide
CID 110688754
N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822852
N-(3,4-difluorophenyl)-N'-hydroxyoctanediamide
CID 58624316
5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468
2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine;hydrochloride
CID 52983646
N-(3,4-difluorophenyl)propanamide
CID 4285365

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385800) is N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is O=C(CCc1nn2cnnc2s1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is BARKNWGPPZLNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N5OS/c13-8-2-1-7(5-9(8)14)16-10(20)3-4-11-18-19-6-15-17-12(19)21-11/h1-2,5-6H,3-4H2,(H,16,20).
What are the key properties of N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 309.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).