3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole

C9H10F3N3S — CID 163356117

IUPAC3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
SMILESFC(F)(F)C1CN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C9H10F3N3S/c10-9(11,12)6-3-15(4-6)8-13-7(14-16-8)5-1-2-5/h5-6H,1-4H2
InChIKeyMHGMRAFQSRVRMQ-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.41
Rot. Bonds2

About 3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole

3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole (PubChem CID 163356117) has the molecular formula C9H10F3N3S and a molecular weight of 249.26 g/mol. Its IUPAC name is 3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
PubChem CID163356117
Molecular FormulaC9H10F3N3S
Molecular Weight249.26 g/mol
Exact Mass249.05
IUPAC Name3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
SMILESFC(F)(F)C1CN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C9H10F3N3S/c10-9(11,12)6-3-15(4-6)8-13-7(14-16-8)5-1-2-5/h5-6H,1-4H2
InChIKeyMHGMRAFQSRVRMQ-UHFFFAOYSA-N
XLogP2.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole with MolForge

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

Launch Full Analysis

Related Compounds

5-[3-(2,2-Difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126794128
3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130467102
3-[(1S)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 132216085
5-Tert-butyl-3-(3,3-difluoroazetidin-1-yl)-1,2,4-thiadiazole
CID 169036011
3-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271026
3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274435
3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 79838766
3-cyclopropyl-N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazol-5-amine
CID 79839907
3-cyclopropyl-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
CID 106293663
N-(2-bromoethyl)-3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 107489305
N-(2-chloroethyl)-3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 107489776
N-(2-bromoethyl)-3-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 107490186

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole (CID 163356117) is 3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole is FC(F)(F)C1CN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is MHGMRAFQSRVRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3S/c10-9(11,12)6-3-15(4-6)8-13-7(14-16-8)5-1-2-5/h5-6H,1-4H2.
What are the key properties of 3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 249.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[3-(trifluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 163356117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).