5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine

C13H16FN3S — CID 107647638

IUPAC5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)Cc2ccccc2F)s1
InChIInChI=1S/C13H16FN3S/c1-3-12-16-17-13(18-12)15-9(2)8-10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,17)
InChIKeyGYKIUXVGZBCZSV-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.28
Rot. Bonds5

About 5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine

5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 107647638) has the molecular formula C13H16FN3S and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID107647638
Molecular FormulaC13H16FN3S
Molecular Weight265.36 g/mol
Exact Mass265.10
IUPAC Name5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)Cc2ccccc2F)s1
InChIInChI=1S/C13H16FN3S/c1-3-12-16-17-13(18-12)15-9(2)8-10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,17)
InChIKeyGYKIUXVGZBCZSV-UHFFFAOYSA-N
XLogP3.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]butan-1-ol
CID 133451818
N-[1-(4-bromophenyl)propan-2-yl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 114081271
2-(2-fluorophenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 8750095
5-ethyl-N-hexan-2-yl-1,3,4-thiadiazol-2-amine
CID 107648001
2-[2-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]propyl]phthalazin-1-one
CID 133451943
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 107648177
N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 52892709
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872
(2R)-2-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]propanamide;hydrochloride
CID 119319928
5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 107648050
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenoxy)butanamide
CID 17013028
3-amino-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 120500550

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine (CID 107647638) is 5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine is CCc1nnc(NC(C)Cc2ccccc2F)s1.
What is the InChIKey of 5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GYKIUXVGZBCZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3S/c1-3-12-16-17-13(18-12)15-9(2)8-10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,17).
What are the key properties of 5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 265.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(2-fluorophenyl)propan-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).