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

C7H8N2OS2 — CID 88712133

IUPAC4-(1,3-thiazol-2-yl)morpholine-2-thione
SMILESS=C1CN(c2nccs2)CCO1
InChIInChI=1S/C7H8N2OS2/c11-6-5-9(2-3-10-6)7-8-1-4-12-7/h1,4H,2-3,5H2
InChIKeyVMITXYJZWXVACM-UHFFFAOYSA-N
MW200.29 g/mol
LogP1.31
Rot. Bonds1

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

4-(1,3-thiazol-2-yl)morpholine-2-thione (PubChem CID 88712133) has the molecular formula C7H8N2OS2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)morpholine-2-thione.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)morpholine-2-thione
PubChem CID88712133
Molecular FormulaC7H8N2OS2
Molecular Weight200.29 g/mol
Exact Mass200.01
IUPAC Name4-(1,3-thiazol-2-yl)morpholine-2-thione
SMILESS=C1CN(c2nccs2)CCO1
InChIInChI=1S/C7H8N2OS2/c11-6-5-9(2-3-10-6)7-8-1-4-12-7/h1,4H,2-3,5H2
InChIKeyVMITXYJZWXVACM-UHFFFAOYSA-N
XLogP1.31
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-1,3-thiazol-2-amine
CID 73994620
2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl 4-morpholinecarbodithioate
CID 900890
4-(1,3-Thiazol-2-yl)morpholine
CID 15475837
Methyl [4-(1,3-thiazol-2-yl)piperazin-1-yl]acetate
CID 28880817
(E)-1-morpholin-4-yl-N-(1,3-thiazol-2-yl)methanimine
CID 9660703
4-(5-Bromo-1,3-thiazol-2-yl)morpholine
CID 45787551
2-Thiomorpholinothiazole
CID 59156475
Tris(2-hydroxyethyl)-(1,3-thiazol-2-yl)azanium
CID 123791014
2-[4-[2-(2,2,2-Trifluoroethoxy)ethyl]piperazin-1-yl]-1,3-thiazole
CID 53530005
2-[4-[3-(2,2,2-Trifluoroethoxy)propyl]piperazin-1-yl]-1,3-thiazole
CID 86829416
2-[2,2-Difluoroethyl(1,3-thiazol-2-yl)amino]ethanol
CID 107484179
2-[1,3-Thiazol-2-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107484473

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)morpholine-2-thione?
The IUPAC name of 4-(1,3-thiazol-2-yl)morpholine-2-thione (CID 88712133) is 4-(1,3-thiazol-2-yl)morpholine-2-thione.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)morpholine-2-thione?
The canonical SMILES for 4-(1,3-thiazol-2-yl)morpholine-2-thione is S=C1CN(c2nccs2)CCO1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)morpholine-2-thione?
The InChIKey is VMITXYJZWXVACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS2/c11-6-5-9(2-3-10-6)7-8-1-4-12-7/h1,4H,2-3,5H2.
What are the key properties of 4-(1,3-thiazol-2-yl)morpholine-2-thione?
4-(1,3-thiazol-2-yl)morpholine-2-thione has a molecular weight of 200.29 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 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-thione is sourced from PubChem (CID 88712133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).