1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea

C8H12N4O3S2 — CID 89307041

IUPAC1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea
SMILESNC(=O)N(N1CCOCC1)N1C(=O)CSC1=S
InChIInChI=1S/C8H12N4O3S2/c9-7(14)12(10-1-3-15-4-2-10)11-6(13)5-17-8(11)16/h1-5H2,(H2,9,14)
InChIKeyMQARXVVCNMLTIY-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.61
Rot. Bonds2

About 1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea

1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea (PubChem CID 89307041) has the molecular formula C8H12N4O3S2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea.

Molecular Properties

Compound Name1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea
PubChem CID89307041
Molecular FormulaC8H12N4O3S2
Molecular Weight276.34 g/mol
Exact Mass276.04
IUPAC Name1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea
SMILESNC(=O)N(N1CCOCC1)N1C(=O)CSC1=S
InChIInChI=1S/C8H12N4O3S2/c9-7(14)12(10-1-3-15-4-2-10)11-6(13)5-17-8(11)16/h1-5H2,(H2,9,14)
InChIKeyMQARXVVCNMLTIY-UHFFFAOYSA-N
XLogP-0.61
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea?
The IUPAC name of 1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea (CID 89307041) is 1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea.
What is the SMILES notation for 1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea?
The canonical SMILES for 1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea is NC(=O)N(N1CCOCC1)N1C(=O)CSC1=S.
What is the InChIKey of 1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea?
The InChIKey is MQARXVVCNMLTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S2/c9-7(14)12(10-1-3-15-4-2-10)11-6(13)5-17-8(11)16/h1-5H2,(H2,9,14).
What are the key properties of 1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea?
1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea has a molecular weight of 276.34 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-1-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea is sourced from PubChem (CID 89307041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).