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

C14H16N2S — CID 116888903

IUPAC3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine
SMILESCc1ccc(-c2nc(C3CC(N)C3)cs2)cc1
InChIInChI=1S/C14H16N2S/c1-9-2-4-10(5-3-9)14-16-13(8-17-14)11-6-12(15)7-11/h2-5,8,11-12H,6-7,15H2,1H3
InChIKeyFDZQTOOLMRRZCN-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.32
Rot. Bonds2

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

3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine (PubChem CID 116888903) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine
PubChem CID116888903
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine
SMILESCc1ccc(-c2nc(C3CC(N)C3)cs2)cc1
InChIInChI=1S/C14H16N2S/c1-9-2-4-10(5-3-9)14-16-13(8-17-14)11-6-12(15)7-11/h2-5,8,11-12H,6-7,15H2,1H3
InChIKeyFDZQTOOLMRRZCN-UHFFFAOYSA-N
XLogP3.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-phenyl-1,3-thiazol-4-yl)cyclobutan-1-amine
CID 116888902
4-[2-(4-bromophenyl)-1,3-thiazol-4-yl]cyclohexan-1-amine
CID 116888872
2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888227
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole
CID 144794797
3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]bicyclo[3.2.1]octane-2,4-dione
CID 66742719
3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine
CID 116885333
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole
CID 116888733
2-bromo-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 39164069
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 116965519

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine?
The IUPAC name of 3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine (CID 116888903) is 3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine is Cc1ccc(-c2nc(C3CC(N)C3)cs2)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine?
The InChIKey is FDZQTOOLMRRZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-9-2-4-10(5-3-9)14-16-13(8-17-14)11-6-12(15)7-11/h2-5,8,11-12H,6-7,15H2,1H3.
What are the key properties of 3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine?
3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine has a molecular weight of 244.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]cyclobutan-1-amine is sourced from PubChem (CID 116888903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).