N-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C8H11F3N4S — CID 107305518

IUPACN-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESNC1(CNc2nc(C(F)(F)F)ns2)CCC1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)5-14-6(16-15-5)13-4-7(12)2-1-3-7/h1-4,12H2,(H,13,14,15)
InChIKeyAESHGKHSQNFOQE-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.85
Rot. Bonds3

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

N-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305518) has the molecular formula C8H11F3N4S and a molecular weight of 252.26 g/mol. Its IUPAC name is N-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305518
Molecular FormulaC8H11F3N4S
Molecular Weight252.26 g/mol
Exact Mass252.07
IUPAC NameN-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESNC1(CNc2nc(C(F)(F)F)ns2)CCC1
InChIInChI=1S/C8H11F3N4S/c9-8(10,11)5-14-6(16-15-5)13-4-7(12)2-1-3-7/h1-4,12H2,(H,13,14,15)
InChIKeyAESHGKHSQNFOQE-UHFFFAOYSA-N
XLogP1.85
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305518) is N-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is NC1(CNc2nc(C(F)(F)F)ns2)CCC1.
What is the InChIKey of N-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is AESHGKHSQNFOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4S/c9-8(10,11)5-14-6(16-15-5)13-4-7(12)2-1-3-7/h1-4,12H2,(H,13,14,15).
What are the key properties of N-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 252.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).