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

C10H16N4OS — CID 82515195

IUPAC2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(CCN2CCOCC2)n1
InChIInChI=1S/C10H16N4OS/c11-10(12)8-7-16-9(13-8)1-2-14-3-5-15-6-4-14/h7H,1-6H2,(H3,11,12)
InChIKeyIUTDSRYKBMMLAO-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.30
Rot. Bonds4

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

2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboximidamide (PubChem CID 82515195) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboximidamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboximidamide
PubChem CID82515195
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboximidamide
SMILES[H]/N=C(\N)c1csc(CCN2CCOCC2)n1
InChIInChI=1S/C10H16N4OS/c11-10(12)8-7-16-9(13-8)1-2-14-3-5-15-6-4-14/h7H,1-6H2,(H3,11,12)
InChIKeyIUTDSRYKBMMLAO-UHFFFAOYSA-N
XLogP0.30
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.30
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 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboximidamide?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboximidamide (CID 82515195) is 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboximidamide.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboximidamide?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboximidamide is [H]/N=C(\N)c1csc(CCN2CCOCC2)n1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboximidamide?
The InChIKey is IUTDSRYKBMMLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c11-10(12)8-7-16-9(13-8)1-2-14-3-5-15-6-4-14/h7H,1-6H2,(H3,11,12).
What are the key properties of 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboximidamide?
2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboximidamide has a molecular weight of 240.33 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboximidamide is sourced from PubChem (CID 82515195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).