[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone

C17H21N3O2S — CID 120625875

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2csc(CCN)n2)CC(c2ccccc2)O1
InChIInChI=1S/C17H21N3O2S/c1-12-9-20(10-15(22-12)13-5-3-2-4-6-13)17(21)14-11-23-16(19-14)7-8-18/h2-6,11-12,15H,7-10,18H2,1H3
InChIKeySCKMOQMYPOXDJV-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.25
Rot. Bonds4

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone (PubChem CID 120625875) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
PubChem CID120625875
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2csc(CCN)n2)CC(c2ccccc2)O1
InChIInChI=1S/C17H21N3O2S/c1-12-9-20(10-15(22-12)13-5-3-2-4-6-13)17(21)14-11-23-16(19-14)7-8-18/h2-6,11-12,15H,7-10,18H2,1H3
InChIKeySCKMOQMYPOXDJV-UHFFFAOYSA-N
XLogP2.25
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone 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

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 120635304
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone;hydrochloride
CID 120635303
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 51126003
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 52537724
(2-methyl-6-phenylmorpholin-4-yl)-pyrazin-2-ylmethanone
CID 47914748
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 94823256
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120625539
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
2-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055413
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(2-aminoethyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120633481
(4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95583727
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-benzylpiperidin-1-yl)methanone
CID 120616229

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone (CID 120625875) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone is CC1CN(C(=O)c2csc(CCN)n2)CC(c2ccccc2)O1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone?
The InChIKey is SCKMOQMYPOXDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-9-20(10-15(22-12)13-5-3-2-4-6-13)17(21)14-11-23-16(19-14)7-8-18/h2-6,11-12,15H,7-10,18H2,1H3.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone has a molecular weight of 331.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 120625875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).