N-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C8H10F3N3OS — CID 104925361

IUPACN-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCOC1CC(Nc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C8H10F3N3OS/c1-15-5-2-4(3-5)12-7-14-13-6(16-7)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,14)
InChIKeyYYFDHMHMXPOHHZ-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.15
Rot. Bonds3

About N-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 104925361) has the molecular formula C8H10F3N3OS and a molecular weight of 253.25 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID104925361
Molecular FormulaC8H10F3N3OS
Molecular Weight253.25 g/mol
Exact Mass253.05
IUPAC NameN-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCOC1CC(Nc2nnc(C(F)(F)F)s2)C1
InChIInChI=1S/C8H10F3N3OS/c1-15-5-2-4(3-5)12-7-14-13-6(16-7)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,14)
InChIKeyYYFDHMHMXPOHHZ-UHFFFAOYSA-N
XLogP2.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 104925361) is N-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is COC1CC(Nc2nnc(C(F)(F)F)s2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YYFDHMHMXPOHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3OS/c1-15-5-2-4(3-5)12-7-14-13-6(16-7)8(9,10)11/h4-5H,2-3H2,1H3,(H,12,14).
What are the key properties of N-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 253.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 104925361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).