1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine

C14H15FN2OS — CID 55132526

IUPAC1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
SMILESCOc1ccc(-c2csc(C3(N)CCC3)n2)cc1F
InChIInChI=1S/C14H15FN2OS/c1-18-12-4-3-9(7-10(12)15)11-8-19-13(17-11)14(16)5-2-6-14/h3-4,7-8H,2,5-6,16H2,1H3
InChIKeyXBWGLQQJSHUSNE-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.30
Rot. Bonds3

About 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine

1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine (PubChem CID 55132526) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
PubChem CID55132526
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
SMILESCOc1ccc(-c2csc(C3(N)CCC3)n2)cc1F
InChIInChI=1S/C14H15FN2OS/c1-18-12-4-3-9(7-10(12)15)11-8-19-13(17-11)14(16)5-2-6-14/h3-4,7-8H,2,5-6,16H2,1H3
InChIKeyXBWGLQQJSHUSNE-UHFFFAOYSA-N
XLogP3.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 61338059
1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]cyclohexan-1-amine
CID 62915540
1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine
CID 61338065
1-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119271809
4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 59333191
4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-2-carbothioamide
CID 73253852
4-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 31263109
1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 116967629
1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61338048
1-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]cyclopentan-1-amine;hydrochloride
CID 120558257
1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 61336894
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine (CID 55132526) is 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine is COc1ccc(-c2csc(C3(N)CCC3)n2)cc1F.
What is the InChIKey of 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The InChIKey is XBWGLQQJSHUSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-18-12-4-3-9(7-10(12)15)11-8-19-13(17-11)14(16)5-2-6-14/h3-4,7-8H,2,5-6,16H2,1H3.
What are the key properties of 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine has a molecular weight of 278.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 55132526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).