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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Related Compounds

3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 110333431
N'-(4-methylphenyl)sulfonyl-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetohydrazide
CID 8505665
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27041100
1-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 27048907
1-benzyl-3-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]thiourea
CID 8627730
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(3-methylphenyl)acetamide
CID 122353695
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 122356836
2-(2-methyl-1,3-thiazol-4-yl)-1-[6-(pyrazin-2-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 127245622
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119580568
N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide
CID 154784296
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 17498046
2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355628

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).