N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide

C9H13N3O2S2 — CID 91902521

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESO=C(NC1=NCCS1)C(=S)N1CCOCC1
InChIInChI=1S/C9H13N3O2S2/c13-7(11-9-10-1-6-16-9)8(15)12-2-4-14-5-3-12/h1-6H2,(H,10,11,13)
InChIKeyKDOHWBBBRDZUFL-UHFFFAOYSA-N
MW259.36 g/mol
LogP-0.14
Rot. Bonds

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide (PubChem CID 91902521) has the molecular formula C9H13N3O2S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide
PubChem CID91902521
Molecular FormulaC9H13N3O2S2
Molecular Weight259.36 g/mol
Exact Mass259.04
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide
SMILESO=C(NC1=NCCS1)C(=S)N1CCOCC1
InChIInChI=1S/C9H13N3O2S2/c13-7(11-9-10-1-6-16-9)8(15)12-2-4-14-5-3-12/h1-6H2,(H,10,11,13)
InChIKeyKDOHWBBBRDZUFL-UHFFFAOYSA-N
XLogP-0.14
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide (CID 91902521) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide is O=C(NC1=NCCS1)C(=S)N1CCOCC1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
The InChIKey is KDOHWBBBRDZUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S2/c13-7(11-9-10-1-6-16-9)8(15)12-2-4-14-5-3-12/h1-6H2,(H,10,11,13).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide has a molecular weight of 259.36 g/mol, XLogP of -0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-morpholin-4-yl-2-sulfanylideneacetamide is sourced from PubChem (CID 91902521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).