5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine

C13H13F2N3S — CID 133382464

IUPAC5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(C2CC2)s1)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2N3S/c1-7(10-5-4-9(14)6-11(10)15)16-13-18-17-12(19-13)8-2-3-8/h4-8H,2-3H2,1H3,(H,16,18)
InChIKeyONHFMVPHTHIZBR-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.87
Rot. Bonds4

About 5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine

5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133382464) has the molecular formula C13H13F2N3S and a molecular weight of 281.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID133382464
Molecular FormulaC13H13F2N3S
Molecular Weight281.33 g/mol
Exact Mass281.08
IUPAC Name5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Nc1nnc(C2CC2)s1)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2N3S/c1-7(10-5-4-9(14)6-11(10)15)16-13-18-17-12(19-13)8-2-3-8/h4-8H,2-3H2,1H3,(H,16,18)
InChIKeyONHFMVPHTHIZBR-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192585
N-(dicyclopropylmethyl)-1-(2,4-difluorophenyl)ethanamine
CID 43204151
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea
CID 39891630
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
5-cyclopropyl-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-thiadiazol-2-amine
CID 133446267
1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
CID 63453969
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 137351326
1-[4-fluoro-2-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]piperidin-4-ol
CID 133454278
N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline
CID 62810510
N-[1-(2,4-difluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43081227

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 133382464) is 5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine is CC(Nc1nnc(C2CC2)s1)c1ccc(F)cc1F.
What is the InChIKey of 5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ONHFMVPHTHIZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3S/c1-7(10-5-4-9(14)6-11(10)15)16-13-18-17-12(19-13)8-2-3-8/h4-8H,2-3H2,1H3,(H,16,18).
What are the key properties of 5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine?
5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 281.33 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(2,4-difluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133382464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).