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

C8H12FN3S — CID 130616600

IUPACN-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESFC1(CCNc2ncns2)CCC1
InChIInChI=1S/C8H12FN3S/c9-8(2-1-3-8)4-5-10-7-11-6-12-13-7/h6H,1-5H2,(H,10,11,12)
InChIKeyYXLUKWDLXWCWER-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.23
Rot. Bonds4

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

N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 130616600) has the molecular formula C8H12FN3S and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID130616600
Molecular FormulaC8H12FN3S
Molecular Weight201.27 g/mol
Exact Mass201.07
IUPAC NameN-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESFC1(CCNc2ncns2)CCC1
InChIInChI=1S/C8H12FN3S/c9-8(2-1-3-8)4-5-10-7-11-6-12-13-7/h6H,1-5H2,(H,10,11,12)
InChIKeyYXLUKWDLXWCWER-UHFFFAOYSA-N
XLogP2.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine
CID 115520652
N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine
CID 130592971
N-(2-cyclobutyl-2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 131020650
N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 131101669
N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 131101687
N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine
CID 131160593
N-(2,2-difluorocyclohexyl)-1,2,4-thiadiazol-5-amine
CID 131198079
N-pentyl-1,2,4-thiadiazol-5-amine
CID 65271368
N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271209
N-(2-cyclopentylethyl)-1,2,4-thiadiazol-5-amine
CID 65271516
N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine
CID 65271554
N-(2-cyclohexylethyl)-1,2,4-thiadiazol-5-amine
CID 65271577

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine (CID 130616600) is N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine is FC1(CCNc2ncns2)CCC1.
What is the InChIKey of N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is YXLUKWDLXWCWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3S/c9-8(2-1-3-8)4-5-10-7-11-6-12-13-7/h6H,1-5H2,(H,10,11,12).
What are the key properties of N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine?
N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 201.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130616600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).