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

C9H12FN3S — CID 121185047

IUPAC3-cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
SMILESFCC1CN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C9H12FN3S/c10-3-6-4-13(5-6)9-11-8(12-14-9)7-1-2-7/h6-7H,1-5H2
InChIKeyXHKMSQUYNTULPU-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.82
Rot. Bonds3

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

3-cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole (PubChem CID 121185047) has the molecular formula C9H12FN3S and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
PubChem CID121185047
Molecular FormulaC9H12FN3S
Molecular Weight213.28 g/mol
Exact Mass213.07
IUPAC Name3-cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole
SMILESFCC1CN(c2nc(C3CC3)ns2)C1
InChIInChI=1S/C9H12FN3S/c10-3-6-4-13(5-6)9-11-8(12-14-9)7-1-2-7/h6-7H,1-5H2
InChIKeyXHKMSQUYNTULPU-UHFFFAOYSA-N
XLogP1.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(2,2-Difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126794128
5-Tert-butyl-3-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
CID 169036009
N-(2-bromoethyl)-3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 107489305
N-(2-bromoethyl)-3-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 107490186
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-4,4-difluoropiperidine
CID 121184656
5-(3-(Fluoromethyl)azetidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 121185046
1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropiperidine
CID 126776536
5-(3-Fluoroazetidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 126995187
3-cyclopropyl-5-[(3R)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349568
3-cyclopropyl-5-[(3S)-3-fluoropiperidin-1-yl]-1,2,4-thiadiazole
CID 129349569
3-Ethyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
CID 130639256
3-Cyclopropyl-5-(3-fluoroazetidin-1-yl)-1,2,4-thiadiazole
CID 130677833

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole (CID 121185047) is 3-cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole is FCC1CN(c2nc(C3CC3)ns2)C1.
What is the InChIKey of 3-cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is XHKMSQUYNTULPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3S/c10-3-6-4-13(5-6)9-11-8(12-14-9)7-1-2-7/h6-7H,1-5H2.
What are the key properties of 3-cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole?
3-cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 213.28 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[3-(fluoromethyl)azetidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 121185047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).