N-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine

C13H15F2N3S — CID 133429377

IUPACN-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(Cc2ccccc2)CC(F)F)n1
InChIInChI=1S/C13H15F2N3S/c1-2-12-16-13(19-17-12)18(9-11(14)15)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyCDYSGVHCQRNPMK-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.37
Rot. Bonds6

About N-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine

N-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 133429377) has the molecular formula C13H15F2N3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID133429377
Molecular FormulaC13H15F2N3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(Cc2ccccc2)CC(F)F)n1
InChIInChI=1S/C13H15F2N3S/c1-2-12-16-13(19-17-12)18(9-11(14)15)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyCDYSGVHCQRNPMK-UHFFFAOYSA-N
XLogP3.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(dibenzylamino)-1,2,4-thiadiazol-3-yl]propan-2-yl nitrate
CID 142760939
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(4-phenylbutan-2-yl)acetamide
CID 3276873
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 65270798
2-[benzyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(3-methylbutyl)acetamide
CID 3544274
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-pentylacetamide
CID 4546088
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-[2-(dimethylamino)ethyl]acetamide
CID 4545934
N'-benzyl-N,N-dimethyl-N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 133430234
1-(4-acetylpiperazin-1-yl)-2-[benzyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethanone
CID 3405021
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 4670123
2-[benzyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-propan-2-ylacetamide
CID 3622092
2-[benzyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-cyclopropylacetamide
CID 3511980
N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 133428838

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine (CID 133429377) is N-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(N(Cc2ccccc2)CC(F)F)n1.
What is the InChIKey of N-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is CDYSGVHCQRNPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3S/c1-2-12-16-13(19-17-12)18(9-11(14)15)8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of N-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
N-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 283.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2,2-difluoroethyl)-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133429377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).