N-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine

C7H11F2N3S — CID 115407014

IUPACN-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine
SMILESCCc1nnsc1CNCC(F)F
InChIInChI=1S/C7H11F2N3S/c1-2-5-6(13-12-11-5)3-10-4-7(8)9/h7,10H,2-4H2,1H3
InChIKeyLRFKDCLVGSPTRM-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.46
Rot. Bonds5

About N-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine

N-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine (PubChem CID 115407014) has the molecular formula C7H11F2N3S and a molecular weight of 207.25 g/mol. Its IUPAC name is N-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine
PubChem CID115407014
Molecular FormulaC7H11F2N3S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC NameN-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine
SMILESCCc1nnsc1CNCC(F)F
InChIInChI=1S/C7H11F2N3S/c1-2-5-6(13-12-11-5)3-10-4-7(8)9/h7,10H,2-4H2,1H3
InChIKeyLRFKDCLVGSPTRM-UHFFFAOYSA-N
XLogP1.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Piperazin-2-yl-5-(trifluoromethyl)thiadiazole
CID 91570194
2,2,2-trifluoro-N-[(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 65199618
2,2,2-trifluoro-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]ethanamine
CID 65204268
N-[(4-ethylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 65205256
N-[(4-tert-butylthiadiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 65205257
2,2,2-trifluoro-N-[(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 65205258
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 105156289
N-ethyl-4,4,4-trifluoro-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105156295
4,4,4-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105156351
N-ethyl-4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)butan-1-amine
CID 105156358
4,4,4-trifluoro-1-(4-methylthiadiazol-5-yl)-N-propylbutan-1-amine
CID 105156395
4,4,4-trifluoro-N-propyl-1-(4-propylthiadiazol-5-yl)butan-1-amine
CID 105156400

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine (CID 115407014) is N-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine is CCc1nnsc1CNCC(F)F.
What is the InChIKey of N-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is LRFKDCLVGSPTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3S/c1-2-5-6(13-12-11-5)3-10-4-7(8)9/h7,10H,2-4H2,1H3.
What are the key properties of N-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine?
N-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 207.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylthiadiazol-5-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115407014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).