2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone

C17H21N3O2S — CID 56820909

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone
SMILESCc1nc(CNC(C(=O)N2CCOCC2)c2ccccc2)cs1
InChIInChI=1S/C17H21N3O2S/c1-13-19-15(12-23-13)11-18-16(14-5-3-2-4-6-14)17(21)20-7-9-22-10-8-20/h2-6,12,16,18H,7-11H2,1H3
InChIKeyGGTHYAWUWYIVRQ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.14
Rot. Bonds5

About 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone

2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone (PubChem CID 56820909) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone
PubChem CID56820909
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone
SMILESCc1nc(CNC(C(=O)N2CCOCC2)c2ccccc2)cs1
InChIInChI=1S/C17H21N3O2S/c1-13-19-15(12-23-13)11-18-16(14-5-3-2-4-6-14)17(21)20-7-9-22-10-8-20/h2-6,12,16,18H,7-11H2,1H3
InChIKeyGGTHYAWUWYIVRQ-UHFFFAOYSA-N
XLogP2.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone 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

ethyl N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]carbamate
CID 110286950
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
(2R)-2-(2,5-dimethylanilino)-1-morpholin-4-yl-2-phenylethanone
CID 51924051
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51126717
N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-phenylacetamide
CID 110286922
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide
CID 104897686
2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286907
1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea
CID 110626175
(2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone
CID 97227101
N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-naphthalen-1-ylacetamide
CID 51960254
(2R)-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]butanoic acid
CID 28819853
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 94030307

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone (CID 56820909) is 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone is Cc1nc(CNC(C(=O)N2CCOCC2)c2ccccc2)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone?
The InChIKey is GGTHYAWUWYIVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13-19-15(12-23-13)11-18-16(14-5-3-2-4-6-14)17(21)20-7-9-22-10-8-20/h2-6,12,16,18H,7-11H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone?
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone has a molecular weight of 331.44 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-morpholin-4-yl-2-phenylethanone is sourced from PubChem (CID 56820909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).