4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide

C11H18N4OS — CID 82427742

IUPAC4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCN2CCOCC2)nc1C
InChIInChI=1S/C11H18N4OS/c1-8-10(11(12)13)17-9(14-8)2-3-15-4-6-16-7-5-15/h2-7H2,1H3,(H3,12,13)
InChIKeyGMYOXBGSEWLNIQ-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.61
Rot. Bonds4

About 4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide

4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide (PubChem CID 82427742) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide
PubChem CID82427742
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CCN2CCOCC2)nc1C
InChIInChI=1S/C11H18N4OS/c1-8-10(11(12)13)17-9(14-8)2-3-15-4-6-16-7-5-15/h2-7H2,1H3,(H3,12,13)
InChIKeyGMYOXBGSEWLNIQ-UHFFFAOYSA-N
XLogP0.61
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide (CID 82427742) is 4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(CCN2CCOCC2)nc1C.
What is the InChIKey of 4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide?
The InChIKey is GMYOXBGSEWLNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8-10(11(12)13)17-9(14-8)2-3-15-4-6-16-7-5-15/h2-7H2,1H3,(H3,12,13).
What are the key properties of 4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide?
4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide has a molecular weight of 254.36 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82427742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).