5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole

C14H16N2S — CID 112645464

IUPAC5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
SMILESCc1ccccc1C1(Cc2cncs2)CNC1
InChIInChI=1S/C14H16N2S/c1-11-4-2-3-5-13(11)14(8-16-9-14)6-12-7-15-10-17-12/h2-5,7,10,16H,6,8-9H2,1H3
InChIKeyUCKHIRGEKDONTM-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.54
Rot. Bonds3

About 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole

5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole (PubChem CID 112645464) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
PubChem CID112645464
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
SMILESCc1ccccc1C1(Cc2cncs2)CNC1
InChIInChI=1S/C14H16N2S/c1-11-4-2-3-5-13(11)14(8-16-9-14)6-12-7-15-10-17-12/h2-5,7,10,16H,6,8-9H2,1H3
InChIKeyUCKHIRGEKDONTM-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 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole (CID 112645464) is 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole is Cc1ccccc1C1(Cc2cncs2)CNC1.
What is the InChIKey of 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
The InChIKey is UCKHIRGEKDONTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-11-4-2-3-5-13(11)14(8-16-9-14)6-12-7-15-10-17-12/h2-5,7,10,16H,6,8-9H2,1H3.
What are the key properties of 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
5-[[3-(2-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 5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 112645464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).