5-morpholin-4-yl-3H-1,3-thiazole-2-thione

C7H10N2OS2 — CID 141425201

IUPAC5-morpholin-4-yl-3H-1,3-thiazole-2-thione
SMILESS=c1[nH]cc(N2CCOCC2)s1
InChIInChI=1S/C7H10N2OS2/c11-7-8-5-6(12-7)9-1-3-10-4-2-9/h5H,1-4H2,(H,8,11)
InChIKeyRVTLVPNHRZCLIV-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.64
Rot. Bonds1

About 5-morpholin-4-yl-3H-1,3-thiazole-2-thione

5-morpholin-4-yl-3H-1,3-thiazole-2-thione (PubChem CID 141425201) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-morpholin-4-yl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name5-morpholin-4-yl-3H-1,3-thiazole-2-thione
PubChem CID141425201
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC Name5-morpholin-4-yl-3H-1,3-thiazole-2-thione
SMILESS=c1[nH]cc(N2CCOCC2)s1
InChIInChI=1S/C7H10N2OS2/c11-7-8-5-6(12-7)9-1-3-10-4-2-9/h5H,1-4H2,(H,8,11)
InChIKeyRVTLVPNHRZCLIV-UHFFFAOYSA-N
XLogP1.64
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-morpholin-4-yl-3H-1,3-thiazole-2-thione?
The IUPAC name of 5-morpholin-4-yl-3H-1,3-thiazole-2-thione (CID 141425201) is 5-morpholin-4-yl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 5-morpholin-4-yl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 5-morpholin-4-yl-3H-1,3-thiazole-2-thione is S=c1[nH]cc(N2CCOCC2)s1.
What is the InChIKey of 5-morpholin-4-yl-3H-1,3-thiazole-2-thione?
The InChIKey is RVTLVPNHRZCLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c11-7-8-5-6(12-7)9-1-3-10-4-2-9/h5H,1-4H2,(H,8,11).
What are the key properties of 5-morpholin-4-yl-3H-1,3-thiazole-2-thione?
5-morpholin-4-yl-3H-1,3-thiazole-2-thione has a molecular weight of 202.30 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 141425201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).