N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine

C7H11N3S — CID 65271209

IUPACN-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2CCC2)n1
InChIInChI=1S/C7H11N3S/c1-2-6(3-1)4-8-7-9-5-10-11-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeyFGVFWTSNBNSAAB-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.75
Rot. Bonds3

About N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine

N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271209) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271209
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC NameN-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine
SMILESc1nsc(NCC2CCC2)n1
InChIInChI=1S/C7H11N3S/c1-2-6(3-1)4-8-7-9-5-10-11-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeyFGVFWTSNBNSAAB-UHFFFAOYSA-N
XLogP1.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.75
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-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 130616600
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-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268338
N-propyl-1,2,4-thiadiazol-5-amine
CID 65268873
N-pentyl-1,2,4-thiadiazol-5-amine
CID 65271368
N-pentyl-1,2,4-thiadiazol-3-amine
CID 67847364
N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
CID 65270965

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine (CID 65271209) is N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine is c1nsc(NCC2CCC2)n1.
What is the InChIKey of N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FGVFWTSNBNSAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-2-6(3-1)4-8-7-9-5-10-11-7/h5-6H,1-4H2,(H,8,9,10).
What are the key properties of N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine?
N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 169.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).