2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide

C13H22N4OS — CID 120662076

IUPAC2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
SMILESCc1csc(C(C)C/N=C(\N)N2CCOC(C)C2)n1
InChIInChI=1S/C13H22N4OS/c1-9(12-16-10(2)8-19-12)6-15-13(14)17-4-5-18-11(3)7-17/h8-9,11H,4-7H2,1-3H3,(H2,14,15)
InChIKeyULUWPAVUAOXJSM-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.59
Rot. Bonds3

About 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide

2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide (PubChem CID 120662076) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
PubChem CID120662076
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
SMILESCc1csc(C(C)C/N=C(\N)N2CCOC(C)C2)n1
InChIInChI=1S/C13H22N4OS/c1-9(12-16-10(2)8-19-12)6-15-13(14)17-4-5-18-11(3)7-17/h8-9,11H,4-7H2,1-3H3,(H2,14,15)
InChIKeyULUWPAVUAOXJSM-UHFFFAOYSA-N
XLogP1.59
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.59
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

(2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
CID 136589466
1-Ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111615089
1-Ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615090
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111615923
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615924
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-3-ethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111615925
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-3-ethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615926
2-Methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111616173
2-Methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111616174
2-Methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111616315
2-Methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111616316
1-Ethyl-3-(3-morpholin-4-ylpropyl)-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111616637

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide?
The IUPAC name of 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide (CID 120662076) is 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide.
What is the SMILES notation for 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide?
The canonical SMILES for 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide is Cc1csc(C(C)C/N=C(\N)N2CCOC(C)C2)n1.
What is the InChIKey of 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide?
The InChIKey is ULUWPAVUAOXJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9(12-16-10(2)8-19-12)6-15-13(14)17-4-5-18-11(3)7-17/h8-9,11H,4-7H2,1-3H3,(H2,14,15).
What are the key properties of 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide?
2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide has a molecular weight of 282.41 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide is sourced from PubChem (CID 120662076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).