[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate

C11H15N3O2S3 — CID 900888

IUPAC[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate
SMILESCc1cnc(NC(=O)CSC(=S)N2CCOCC2)s1
InChIInChI=1S/C11H15N3O2S3/c1-8-6-12-10(19-8)13-9(15)7-18-11(17)14-2-4-16-5-3-14/h6H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyCOFNUNIYJONEPW-UHFFFAOYSA-N
MW317.46 g/mol
LogP1.74
Rot. Bonds3

About [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate

[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate (PubChem CID 900888) has the molecular formula C11H15N3O2S3 and a molecular weight of 317.46 g/mol. Its IUPAC name is [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate.

Molecular Properties

Compound Name[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate
PubChem CID900888
Molecular FormulaC11H15N3O2S3
Molecular Weight317.46 g/mol
Exact Mass317.03
IUPAC Name[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate
SMILESCc1cnc(NC(=O)CSC(=S)N2CCOCC2)s1
InChIInChI=1S/C11H15N3O2S3/c1-8-6-12-10(19-8)13-9(15)7-18-11(17)14-2-4-16-5-3-14/h6H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyCOFNUNIYJONEPW-UHFFFAOYSA-N
XLogP1.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate?
The IUPAC name of [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate (CID 900888) is [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate.
What is the SMILES notation for [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate?
The canonical SMILES for [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate is Cc1cnc(NC(=O)CSC(=S)N2CCOCC2)s1.
What is the InChIKey of [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate?
The InChIKey is COFNUNIYJONEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S3/c1-8-6-12-10(19-8)13-9(15)7-18-11(17)14-2-4-16-5-3-14/h6H,2-5,7H2,1H3,(H,12,13,15).
What are the key properties of [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate?
[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate has a molecular weight of 317.46 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate is sourced from PubChem (CID 900888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).