4-(1,3-thiazol-2-yl)morpholine-2-thiol

C7H10N2OS2 — CID 88759512

IUPAC4-(1,3-thiazol-2-yl)morpholine-2-thiol
SMILESSC1CN(c2nccs2)CCO1
InChIInChI=1S/C7H10N2OS2/c11-6-5-9(2-3-10-6)7-8-1-4-12-7/h1,4,6,11H,2-3,5H2
InChIKeyOTZRULIVHHNJRV-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.24
Rot. Bonds1

About 4-(1,3-thiazol-2-yl)morpholine-2-thiol

4-(1,3-thiazol-2-yl)morpholine-2-thiol (PubChem CID 88759512) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)morpholine-2-thiol.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)morpholine-2-thiol
PubChem CID88759512
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC Name4-(1,3-thiazol-2-yl)morpholine-2-thiol
SMILESSC1CN(c2nccs2)CCO1
InChIInChI=1S/C7H10N2OS2/c11-6-5-9(2-3-10-6)7-8-1-4-12-7/h1,4,6,11H,2-3,5H2
InChIKeyOTZRULIVHHNJRV-UHFFFAOYSA-N
XLogP1.24
TPSA25.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)morpholine-2-thiol?
The IUPAC name of 4-(1,3-thiazol-2-yl)morpholine-2-thiol (CID 88759512) is 4-(1,3-thiazol-2-yl)morpholine-2-thiol.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)morpholine-2-thiol?
The canonical SMILES for 4-(1,3-thiazol-2-yl)morpholine-2-thiol is SC1CN(c2nccs2)CCO1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)morpholine-2-thiol?
The InChIKey is OTZRULIVHHNJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c11-6-5-9(2-3-10-6)7-8-1-4-12-7/h1,4,6,11H,2-3,5H2.
What are the key properties of 4-(1,3-thiazol-2-yl)morpholine-2-thiol?
4-(1,3-thiazol-2-yl)morpholine-2-thiol has a molecular weight of 202.30 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)morpholine-2-thiol is sourced from PubChem (CID 88759512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).