3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine

C7H9FN2S — CID 130900761

IUPAC3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine
SMILESNC1CC(F)(c2ccns2)C1
InChIInChI=1S/C7H9FN2S/c8-7(3-5(9)4-7)6-1-2-10-11-6/h1-2,5H,3-4,9H2
InChIKeyFLCHFFOTMSUDAI-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.43
Rot. Bonds1

About 3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine

3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine (PubChem CID 130900761) has the molecular formula C7H9FN2S and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine
PubChem CID130900761
Molecular FormulaC7H9FN2S
Molecular Weight172.23 g/mol
Exact Mass172.05
IUPAC Name3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine
SMILESNC1CC(F)(c2ccns2)C1
InChIInChI=1S/C7H9FN2S/c8-7(3-5(9)4-7)6-1-2-10-11-6/h1-2,5H,3-4,9H2
InChIKeyFLCHFFOTMSUDAI-UHFFFAOYSA-N
XLogP1.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine 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

1-(1,2-Thiazol-5-yl)ethan-1-amine hydrochloride
CID 134691063
2-(1,2-Thiazol-5-yl)ethan-1-amine
CID 55254312
5-(1,1-Difluoro-2,2-dimethylbutyl)-1,2-thiazole
CID 154677558
2,2,2-Trifluoro-1-(1,2-thiazol-5-yl)ethanamine
CID 82408030
1-(1,2-Thiazol-5-yl)ethan-1-amine
CID 82418738
5-(4-Fluoroazepan-4-yl)-1,2-thiazole
CID 130856979
5-(1-Fluoro-1-pyrrolidin-2-ylethyl)-1,2-thiazole
CID 130874791
1-Fluoro-2-methyl-1-(1,2-thiazol-5-yl)propan-2-amine
CID 131001011
3-Fluoro-3-(1,2-thiazol-5-yl)butan-2-amine
CID 131002474
(3,3-Difluorocyclopentyl)-(1,2-thiazol-5-yl)methanamine
CID 131059316
4-Fluoro-2-methyl-4-(1,2-thiazol-5-yl)butan-2-amine
CID 131062598
3-Fluoro-2-methyl-3-(1,2-thiazol-5-yl)propan-1-amine
CID 131081467

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine (CID 130900761) is 3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine is NC1CC(F)(c2ccns2)C1.
What is the InChIKey of 3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine?
The InChIKey is FLCHFFOTMSUDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2S/c8-7(3-5(9)4-7)6-1-2-10-11-6/h1-2,5H,3-4,9H2.
What are the key properties of 3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine?
3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine has a molecular weight of 172.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(1,2-thiazol-5-yl)cyclobutan-1-amine is sourced from PubChem (CID 130900761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).