2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole

C15H18N2S — CID 79460257

IUPAC2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
SMILESCc1nc(CC2(c3ccccc3C)CNC2)cs1
InChIInChI=1S/C15H18N2S/c1-11-5-3-4-6-14(11)15(9-16-10-15)7-13-8-18-12(2)17-13/h3-6,8,16H,7,9-10H2,1-2H3
InChIKeyRQVRIPVHGHHGJN-UHFFFAOYSA-N
MW258.39 g/mol
LogP2.84
Rot. Bonds3

About 2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole

2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole (PubChem CID 79460257) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
PubChem CID79460257
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole
SMILESCc1nc(CC2(c3ccccc3C)CNC2)cs1
InChIInChI=1S/C15H18N2S/c1-11-5-3-4-6-14(11)15(9-16-10-15)7-13-8-18-12(2)17-13/h3-6,8,16H,7,9-10H2,1-2H3
InChIKeyRQVRIPVHGHHGJN-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole (CID 79460257) is 2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole is Cc1nc(CC2(c3ccccc3C)CNC2)cs1.
What is the InChIKey of 2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
The InChIKey is RQVRIPVHGHHGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-5-3-4-6-14(11)15(9-16-10-15)7-13-8-18-12(2)17-13/h3-6,8,16H,7,9-10H2,1-2H3.
What are the key properties of 2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole?
2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole has a molecular weight of 258.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[3-(2-methylphenyl)azetidin-3-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 79460257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).