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

C10H15N3OS2 — CID 82515196

IUPAC2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carbothioamide
SMILESNC(=S)c1csc(CCN2CCOCC2)n1
InChIInChI=1S/C10H15N3OS2/c11-10(15)8-7-16-9(12-8)1-2-13-3-5-14-6-4-13/h7H,1-6H2,(H2,11,15)
InChIKeyVAPOZECGDJAJOV-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.65
Rot. Bonds4

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

2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carbothioamide (PubChem CID 82515196) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carbothioamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carbothioamide
PubChem CID82515196
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carbothioamide
SMILESNC(=S)c1csc(CCN2CCOCC2)n1
InChIInChI=1S/C10H15N3OS2/c11-10(15)8-7-16-9(12-8)1-2-13-3-5-14-6-4-13/h7H,1-6H2,(H2,11,15)
InChIKeyVAPOZECGDJAJOV-UHFFFAOYSA-N
XLogP0.65
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', '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-carbothioamide?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carbothioamide (CID 82515196) is 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carbothioamide.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carbothioamide?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carbothioamide is NC(=S)c1csc(CCN2CCOCC2)n1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carbothioamide?
The InChIKey is VAPOZECGDJAJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c11-10(15)8-7-16-9(12-8)1-2-13-3-5-14-6-4-13/h7H,1-6H2,(H2,11,15).
What are the key properties of 2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carbothioamide?
2-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carbothioamide has a molecular weight of 257.38 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 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-carbothioamide is sourced from PubChem (CID 82515196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).