1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone

C20H25N3O2S — CID 154744759

IUPAC1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESCc1cccc(CC2CN(C(=O)Cc3csc(N4CCOCC4)n3)C2)c1
InChIInChI=1S/C20H25N3O2S/c1-15-3-2-4-16(9-15)10-17-12-23(13-17)19(24)11-18-14-26-20(21-18)22-5-7-25-8-6-22/h2-4,9,14,17H,5-8,10-13H2,1H3
InChIKeyGKZBHBDYOSHOTB-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.53
Rot. Bonds5

About 1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone

1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 154744759) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
PubChem CID154744759
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESCc1cccc(CC2CN(C(=O)Cc3csc(N4CCOCC4)n3)C2)c1
InChIInChI=1S/C20H25N3O2S/c1-15-3-2-4-16(9-15)10-17-12-23(13-17)19(24)11-18-14-26-20(21-18)22-5-7-25-8-6-22/h2-4,9,14,17H,5-8,10-13H2,1H3
InChIKeyGKZBHBDYOSHOTB-UHFFFAOYSA-N
XLogP2.53
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone (CID 154744759) is 1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone is Cc1cccc(CC2CN(C(=O)Cc3csc(N4CCOCC4)n3)C2)c1.
What is the InChIKey of 1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is GKZBHBDYOSHOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15-3-2-4-16(9-15)10-17-12-23(13-17)19(24)11-18-14-26-20(21-18)22-5-7-25-8-6-22/h2-4,9,14,17H,5-8,10-13H2,1H3.
What are the key properties of 1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 371.51 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-methylphenyl)methyl]azetidin-1-yl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 154744759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).