N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine

C7H10FN3S — CID 131101669

IUPACN-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFC1(CNc2ncns2)CCC1
InChIInChI=1S/C7H10FN3S/c8-7(2-1-3-7)4-9-6-10-5-11-12-6/h5H,1-4H2,(H,9,10,11)
InChIKeyCNUPZMDIDBBSMJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.84
Rot. Bonds3

About N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine

N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 131101669) has the molecular formula C7H10FN3S and a molecular weight of 187.24 g/mol. Its IUPAC name is N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID131101669
Molecular FormulaC7H10FN3S
Molecular Weight187.24 g/mol
Exact Mass187.06
IUPAC NameN-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESFC1(CNc2ncns2)CCC1
InChIInChI=1S/C7H10FN3S/c8-7(2-1-3-7)4-9-6-10-5-11-12-6/h5H,1-4H2,(H,9,10,11)
InChIKeyCNUPZMDIDBBSMJ-UHFFFAOYSA-N
XLogP1.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine (CID 131101669) is N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine is FC1(CNc2ncns2)CCC1.
What is the InChIKey of N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is CNUPZMDIDBBSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3S/c8-7(2-1-3-7)4-9-6-10-5-11-12-6/h5H,1-4H2,(H,9,10,11).
What are the key properties of N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine?
N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 187.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 131101669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).