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

C10H15FN2S — CID 164647309

IUPAC3-fluoro-2,2-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-amine
SMILESCc1cc(C2(F)CC(N)C2(C)C)sn1
InChIInChI=1S/C10H15FN2S/c1-6-4-8(14-13-6)10(11)5-7(12)9(10,2)3/h4,7H,5,12H2,1-3H3
InChIKeyURKJFUWRNAIQIU-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.37
Rot. Bonds1

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

3-fluoro-2,2-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-amine (PubChem CID 164647309) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-2,2-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-amine
PubChem CID164647309
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name3-fluoro-2,2-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-amine
SMILESCc1cc(C2(F)CC(N)C2(C)C)sn1
InChIInChI=1S/C10H15FN2S/c1-6-4-8(14-13-6)10(11)5-7(12)9(10,2)3/h4,7H,5,12H2,1-3H3
InChIKeyURKJFUWRNAIQIU-UHFFFAOYSA-N
XLogP2.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole
CID 138538216
3-Fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-amine
CID 126985741
4-Fluoro-2-methyl-4-(3-methyl-1,2-thiazol-5-yl)butan-2-amine
CID 130648328
5-(4-Fluoropiperidin-4-yl)-3-methyl-1,2-thiazole
CID 130699837
[(2-Fluoro-1-methylcyclopropyl)-(3-methyl-1,2-thiazol-5-yl)methyl]hydrazine
CID 130871147
3,3,3-Trifluoro-1-(3-methyl-1,2-thiazol-5-yl)propan-1-amine
CID 131073162
3-Fluoro-3-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-amine
CID 131218899
5-(3-Fluoro-6-methylpiperidin-3-yl)-3-methyl-1,2-thiazole
CID 133671621
2-Fluoro-2-(3-methyl-1,2-thiazol-5-yl)butan-1-amine
CID 133677190
(5-Tert-butyl-1,2-thiazol-3-yl)methanamine
CID 57585810
5-Tert-butyl-3-(2-pyrrolidin-3-ylethyl)-1,2-thiazole
CID 58523473
5-Tert-butyl-3-ethyl-1,2-thiazole
CID 68067888

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-2,2-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-amine (CID 164647309) is 3-fluoro-2,2-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-2,2-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-2,2-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-amine is Cc1cc(C2(F)CC(N)C2(C)C)sn1.
What is the InChIKey of 3-fluoro-2,2-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-amine?
The InChIKey is URKJFUWRNAIQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-6-4-8(14-13-6)10(11)5-7(12)9(10,2)3/h4,7H,5,12H2,1-3H3.
What are the key properties of 3-fluoro-2,2-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-amine?
3-fluoro-2,2-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethyl-3-(3-methyl-1,2-thiazol-5-yl)cyclobutan-1-amine is sourced from PubChem (CID 164647309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).