4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole

C14H16N2S — CID 79451367

IUPAC4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
SMILESCc1ccc(C2(Cc3cscn3)CNC2)cc1
InChIInChI=1S/C14H16N2S/c1-11-2-4-12(5-3-11)14(8-15-9-14)6-13-7-17-10-16-13/h2-5,7,10,15H,6,8-9H2,1H3
InChIKeyKFWWRMBCDZTGDL-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.54
Rot. Bonds3

About 4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole

4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole (PubChem CID 79451367) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
PubChem CID79451367
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
SMILESCc1ccc(C2(Cc3cscn3)CNC2)cc1
InChIInChI=1S/C14H16N2S/c1-11-2-4-12(5-3-11)14(8-15-9-14)6-13-7-17-10-16-13/h2-5,7,10,15H,6,8-9H2,1H3
InChIKeyKFWWRMBCDZTGDL-UHFFFAOYSA-N
XLogP2.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole (CID 79451367) is 4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole is Cc1ccc(C2(Cc3cscn3)CNC2)cc1.
What is the InChIKey of 4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
The InChIKey is KFWWRMBCDZTGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-11-2-4-12(5-3-11)14(8-15-9-14)6-13-7-17-10-16-13/h2-5,7,10,15H,6,8-9H2,1H3.
What are the key properties of 4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole has a molecular weight of 244.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 79451367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).