2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide

C19H25N4O2S+ — CID 9231790

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
SMILESC/C(=N/NC(=O)Cc1csc(C)n1)[C@H](c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C19H24N4O2S/c1-14(21-22-18(24)12-17-13-26-15(2)20-17)19(16-6-4-3-5-7-16)23-8-10-25-11-9-23/h3-7,13,19H,8-12H2,1-2H3,(H,22,24)/p+1/b21-14-/t19-/m1/s1
InChIKeyLFYWNEYZSLBOLJ-BWCLHNGZSA-O
MW373.50 g/mol
LogP1.14
Rot. Bonds6

About 2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide (PubChem CID 9231790) has the molecular formula C19H25N4O2S+ and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
PubChem CID9231790
Molecular FormulaC19H25N4O2S+
Molecular Weight373.50 g/mol
Exact Mass373.17
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
SMILESC/C(=N/NC(=O)Cc1csc(C)n1)[C@H](c1ccccc1)[NH+]1CCOCC1
InChIInChI=1S/C19H24N4O2S/c1-14(21-22-18(24)12-17-13-26-15(2)20-17)19(16-6-4-3-5-7-16)23-8-10-25-11-9-23/h3-7,13,19H,8-12H2,1-2H3,(H,22,24)/p+1/b21-14-/t19-/m1/s1
InChIKeyLFYWNEYZSLBOLJ-BWCLHNGZSA-O
XLogP1.14
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide 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-(4-methoxyphenoxy)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9217593
2-(4-ethylphenoxy)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide
CID 9218132
2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 9463968
N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]pyridine-3-carboxamide
CID 9211513
N-[(Z)-1-(4-methylphenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463729
N-(2-methyl-1-phenylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78813908
3,4,5-trimethoxy-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9214506
N-[(Z)-1-(3,4-dichlorophenyl)propylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9464064
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 6092245
6-methyl-3-[(2Z)-2-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135722580
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 135811310
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide (CID 9231790) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide is C/C(=N/NC(=O)Cc1csc(C)n1)[C@H](c1ccccc1)[NH+]1CCOCC1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide?
The InChIKey is LFYWNEYZSLBOLJ-BWCLHNGZSA-O. The full InChI is InChI=1S/C19H24N4O2S/c1-14(21-22-18(24)12-17-13-26-15(2)20-17)19(16-6-4-3-5-7-16)23-8-10-25-11-9-23/h3-7,13,19H,8-12H2,1-2H3,(H,22,24)/p+1/b21-14-/t19-/m1/s1.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide has a molecular weight of 373.50 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 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)-N-[(Z)-[(1S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]acetamide is sourced from PubChem (CID 9231790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).