[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone

C18H22N4O2S — CID 47089952

IUPAC[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone
SMILESCc1c(NCc2nc(C3CC3)no2)cccc1C(=O)N1CCSCC1
InChIInChI=1S/C18H22N4O2S/c1-12-14(18(23)22-7-9-25-10-8-22)3-2-4-15(12)19-11-16-20-17(21-24-16)13-5-6-13/h2-4,13,19H,5-11H2,1H3
InChIKeyIYGQCJIAWLYRFJ-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.06
Rot. Bonds5

About [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone

[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone (PubChem CID 47089952) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone
PubChem CID47089952
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone
SMILESCc1c(NCc2nc(C3CC3)no2)cccc1C(=O)N1CCSCC1
InChIInChI=1S/C18H22N4O2S/c1-12-14(18(23)22-7-9-25-10-8-22)3-2-4-15(12)19-11-16-20-17(21-24-16)13-5-6-13/h2-4,13,19H,5-11H2,1H3
InChIKeyIYGQCJIAWLYRFJ-UHFFFAOYSA-N
XLogP3.06
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone
CID 86874889
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,6-dimethylphenoxy)aniline
CID 71937113
N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427451
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(methylsulfonylmethyl)aniline
CID 47086209
3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119310619
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline
CID 51121599
1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone
CID 47063647
4-methyl-1-[[2-methyl-3-(thiomorpholine-4-carbonyl)anilino]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 60609626
2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119761388
4-[2-[2-methyl-3-(thiomorpholine-4-carbonyl)anilino]ethoxy]benzonitrile
CID 60609648
(3-amino-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 28786513
[3-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-pyrrolidin-1-ylmethanone
CID 110006598

Frequently Asked Questions

What is the IUPAC name of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone (CID 47089952) is [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone is Cc1c(NCc2nc(C3CC3)no2)cccc1C(=O)N1CCSCC1.
What is the InChIKey of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone?
The InChIKey is IYGQCJIAWLYRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12-14(18(23)22-7-9-25-10-8-22)3-2-4-15(12)19-11-16-20-17(21-24-16)13-5-6-13/h2-4,13,19H,5-11H2,1H3.
What are the key properties of [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone?
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone has a molecular weight of 358.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 47089952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).