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

C13H22N4OS — CID 111085147

IUPACN'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide
SMILESCC(C)(C)c1nc(C/N=C(\N)N2CCOCC2)cs1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)11-16-10(9-19-11)8-15-12(14)17-4-6-18-7-5-17/h9H,4-8H2,1-3H3,(H2,14,15)
InChIKeyRGNKODMBUNVCFN-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.59
Rot. Bonds2

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

N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide (PubChem CID 111085147) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide
PubChem CID111085147
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide
SMILESCC(C)(C)c1nc(C/N=C(\N)N2CCOCC2)cs1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)11-16-10(9-19-11)8-15-12(14)17-4-6-18-7-5-17/h9H,4-8H2,1-3H3,(H2,14,15)
InChIKeyRGNKODMBUNVCFN-UHFFFAOYSA-N
XLogP1.59
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide (CID 111085147) is N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide is CC(C)(C)c1nc(C/N=C(\N)N2CCOCC2)cs1.
What is the InChIKey of N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is RGNKODMBUNVCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-13(2,3)11-16-10(9-19-11)8-15-12(14)17-4-6-18-7-5-17/h9H,4-8H2,1-3H3,(H2,14,15).
What are the key properties of N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide?
N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 282.41 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111085147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).