(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone

C14H15N3O2S2 — CID 866380

IUPAC(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc(=S)n1-c1ccccc1
InChIInChI=1S/C14H15N3O2S2/c15-12-11(13(18)16-6-8-19-9-7-16)21-14(20)17(12)10-4-2-1-3-5-10/h1-5H,6-9,15H2
InChIKeyRDKNLTNGGDDCSS-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.32
Rot. Bonds2

About (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone

(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone (PubChem CID 866380) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
PubChem CID866380
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC Name(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
SMILESNc1c(C(=O)N2CCOCC2)sc(=S)n1-c1ccccc1
InChIInChI=1S/C14H15N3O2S2/c15-12-11(13(18)16-6-8-19-9-7-16)21-14(20)17(12)10-4-2-1-3-5-10/h1-5H,6-9,15H2
InChIKeyRDKNLTNGGDDCSS-UHFFFAOYSA-N
XLogP2.32
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_B(17)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone (CID 866380) is (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone is Nc1c(C(=O)N2CCOCC2)sc(=S)n1-c1ccccc1.
What is the InChIKey of (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is RDKNLTNGGDDCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c15-12-11(13(18)16-6-8-19-9-7-16)21-14(20)17(12)10-4-2-1-3-5-10/h1-5H,6-9,15H2.
What are the key properties of (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone?
(4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 321.43 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 866380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).