3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine

C14H15FN2S — CID 116885328

IUPAC3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine
SMILESCc1nc(-c2ccccc2F)sc1C1CC(N)C1
InChIInChI=1S/C14H15FN2S/c1-8-13(9-6-10(16)7-9)18-14(17-8)11-4-2-3-5-12(11)15/h2-5,9-10H,6-7,16H2,1H3
InChIKeyJYRSNWLNNXBACD-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.46
Rot. Bonds2

About 3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine

3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine (PubChem CID 116885328) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine
PubChem CID116885328
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine
SMILESCc1nc(-c2ccccc2F)sc1C1CC(N)C1
InChIInChI=1S/C14H15FN2S/c1-8-13(9-6-10(16)7-9)18-14(17-8)11-4-2-3-5-12(11)15/h2-5,9-10H,6-7,16H2,1H3
InChIKeyJYRSNWLNNXBACD-UHFFFAOYSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885078
3-[2-(5-bromo-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine
CID 116885325
3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine
CID 116885333
1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 54593693
5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 82084790
[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53016699
2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 53443450
3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66031194
methyl 2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422946
5-cyclopentyl-4-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 82106641
3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine
CID 116999894
(2S)-N-[(1R)-1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 95769043

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine?
The IUPAC name of 3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine (CID 116885328) is 3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine is Cc1nc(-c2ccccc2F)sc1C1CC(N)C1.
What is the InChIKey of 3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine?
The InChIKey is JYRSNWLNNXBACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-8-13(9-6-10(16)7-9)18-14(17-8)11-4-2-3-5-12(11)15/h2-5,9-10H,6-7,16H2,1H3.
What are the key properties of 3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine?
3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine has a molecular weight of 262.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutan-1-amine is sourced from PubChem (CID 116885328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).