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

C13H20N4OS — CID 120661882

IUPACN'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/Cc2nc(C3CC3)cs2)CCO1
InChIInChI=1S/C13H20N4OS/c1-9-7-17(4-5-18-9)13(14)15-6-12-16-11(8-19-12)10-2-3-10/h8-10H,2-7H2,1H3,(H2,14,15)
InChIKeyOGMVIASJEBIWEK-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.56
Rot. Bonds3

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

N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120661882) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120661882
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/Cc2nc(C3CC3)cs2)CCO1
InChIInChI=1S/C13H20N4OS/c1-9-7-17(4-5-18-9)13(14)15-6-12-16-11(8-19-12)10-2-3-10/h8-10H,2-7H2,1H3,(H2,14,15)
InChIKeyOGMVIASJEBIWEK-UHFFFAOYSA-N
XLogP1.56
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.56
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'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide (CID 120661882) is N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/Cc2nc(C3CC3)cs2)CCO1.
What is the InChIKey of N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is OGMVIASJEBIWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-9-7-17(4-5-18-9)13(14)15-6-12-16-11(8-19-12)10-2-3-10/h8-10H,2-7H2,1H3,(H2,14,15).
What are the key properties of N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 280.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).