5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine

C10H16FN3S — CID 167860379

IUPAC5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCC2(F)CCCC2)s1
InChIInChI=1S/C10H16FN3S/c1-2-8-13-14-9(15-8)12-7-10(11)5-3-4-6-10/h2-7H2,1H3,(H,12,14)
InChIKeySBCHWUFLDMAGAZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.79
Rot. Bonds4

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

5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 167860379) has the molecular formula C10H16FN3S and a molecular weight of 229.32 g/mol. Its IUPAC name is 5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID167860379
Molecular FormulaC10H16FN3S
Molecular Weight229.32 g/mol
Exact Mass229.10
IUPAC Name5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCC2(F)CCCC2)s1
InChIInChI=1S/C10H16FN3S/c1-2-8-13-14-9(15-8)12-7-10(11)5-3-4-6-10/h2-7H2,1H3,(H,12,14)
InChIKeySBCHWUFLDMAGAZ-UHFFFAOYSA-N
XLogP2.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine (CID 167860379) is 5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine is CCc1nnc(NCC2(F)CCCC2)s1.
What is the InChIKey of 5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is SBCHWUFLDMAGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3S/c1-2-8-13-14-9(15-8)12-7-10(11)5-3-4-6-10/h2-7H2,1H3,(H,12,14).
What are the key properties of 5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 229.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 167860379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).