3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine

C9H13F3N4S — CID 107306268

IUPAC3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine
SMILESCC(C)C1(N)CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H13F3N4S/c1-5(2)8(13)3-16(4-8)7-14-6(15-17-7)9(10,11)12/h5H,3-4,13H2,1-2H3
InChIKeyRPHDGUWOYLLOHD-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.73
Rot. Bonds2

About 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine

3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine (PubChem CID 107306268) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine.

Molecular Properties

Compound Name3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine
PubChem CID107306268
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC Name3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine
SMILESCC(C)C1(N)CN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C9H13F3N4S/c1-5(2)8(13)3-16(4-8)7-14-6(15-17-7)9(10,11)12/h5H,3-4,13H2,1-2H3
InChIKeyRPHDGUWOYLLOHD-UHFFFAOYSA-N
XLogP1.73
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(2,2-Difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126794128
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 107304867
2-ethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 107305360
3-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 107305369
3-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 107305375
1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine
CID 107305376
N-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305390
N-(azetidin-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305391
N-(azetidin-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305392
2-ethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 107305458
2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 107305470
N-[(1-aminocyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305518

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine?
The IUPAC name of 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine (CID 107306268) is 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine.
What is the SMILES notation for 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine?
The canonical SMILES for 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine is CC(C)C1(N)CN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine?
The InChIKey is RPHDGUWOYLLOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c1-5(2)8(13)3-16(4-8)7-14-6(15-17-7)9(10,11)12/h5H,3-4,13H2,1-2H3.
What are the key properties of 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine?
3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine has a molecular weight of 266.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]azetidin-3-amine is sourced from PubChem (CID 107306268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).