N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide

C17H21ClN4OS — CID 120661286

IUPACN'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide
SMILESCc1sc(C/N=C(\N)N2CCOC(C)C2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4OS/c1-11-10-22(7-8-23-11)17(19)20-9-15-21-16(12(2)24-15)13-3-5-14(18)6-4-13/h3-6,11H,7-10H2,1-2H3,(H2,19,20)
InChIKeyINMOPLAZQAOLDL-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.31
Rot. Bonds3

About N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide

N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120661286) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120661286
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC NameN'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide
SMILESCc1sc(C/N=C(\N)N2CCOC(C)C2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4OS/c1-11-10-22(7-8-23-11)17(19)20-9-15-21-16(12(2)24-15)13-3-5-14(18)6-4-13/h3-6,11H,7-10H2,1-2H3,(H2,19,20)
InChIKeyINMOPLAZQAOLDL-UHFFFAOYSA-N
XLogP3.31
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661149
N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661163
N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120661882
2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120662205
N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
CID 120662236
2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661477
2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120661374
N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661861
N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662146
2-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661143
N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111817351

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide (CID 120661286) is N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide is Cc1sc(C/N=C(\N)N2CCOC(C)C2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is INMOPLAZQAOLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4OS/c1-11-10-22(7-8-23-11)17(19)20-9-15-21-16(12(2)24-15)13-3-5-14(18)6-4-13/h3-6,11H,7-10H2,1-2H3,(H2,19,20).
What are the key properties of N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide?
N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 364.90 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).