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

C11H18N4OS — CID 111817356

IUPACN'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide
SMILESCc1nc(C/N=C(\N)N2CCOCC2)sc1C
InChIInChI=1S/C11H18N4OS/c1-8-9(2)17-10(14-8)7-13-11(12)15-3-5-16-6-4-15/h3-7H2,1-2H3,(H2,12,13)
InChIKeyXFQSCVWKTAMURO-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.91
Rot. Bonds2

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

N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide (PubChem CID 111817356) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide
PubChem CID111817356
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide
SMILESCc1nc(C/N=C(\N)N2CCOCC2)sc1C
InChIInChI=1S/C11H18N4OS/c1-8-9(2)17-10(14-8)7-13-11(12)15-3-5-16-6-4-15/h3-7H2,1-2H3,(H2,12,13)
InChIKeyXFQSCVWKTAMURO-UHFFFAOYSA-N
XLogP0.91
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.91
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'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide (CID 111817356) is N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide is Cc1nc(C/N=C(\N)N2CCOCC2)sc1C.
What is the InChIKey of N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is XFQSCVWKTAMURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8-9(2)17-10(14-8)7-13-11(12)15-3-5-16-6-4-15/h3-7H2,1-2H3,(H2,12,13).
What are the key properties of N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide?
N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 254.36 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111817356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).