[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate

C10H13N3O2S3 — CID 900890

IUPAC[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate
SMILESO=C(CSC(=S)N1CCOCC1)Nc1nccs1
InChIInChI=1S/C10H13N3O2S3/c14-8(12-9-11-1-6-17-9)7-18-10(16)13-2-4-15-5-3-13/h1,6H,2-5,7H2,(H,11,12,14)
InChIKeyALKYSMOUWSAQMC-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.43
Rot. Bonds3

About [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate

[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate (PubChem CID 900890) has the molecular formula C10H13N3O2S3 and a molecular weight of 303.43 g/mol. Its IUPAC name is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate.

Molecular Properties

Compound Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate
PubChem CID900890
Molecular FormulaC10H13N3O2S3
Molecular Weight303.43 g/mol
Exact Mass303.02
IUPAC Name[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate
SMILESO=C(CSC(=S)N1CCOCC1)Nc1nccs1
InChIInChI=1S/C10H13N3O2S3/c14-8(12-9-11-1-6-17-9)7-18-10(16)13-2-4-15-5-3-13/h1,6H,2-5,7H2,(H,11,12,14)
InChIKeyALKYSMOUWSAQMC-UHFFFAOYSA-N
XLogP1.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-thio-substituted thiazole 70
CID 5329706
N-(2-morpholin-4-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 1948390
[2-[(5-Methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] morpholine-4-carbodithioate
CID 900888
O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate
CID 2345751
2-(2-Hydroxy-ethylsulfanyl)-N-thiazol-2-yl-acetamide
CID 652098
Ethyl 2-oxo-2-(1,3-thiazol-2-ylamino)acetate
CID 1714008
N-(5-(morpholinosulfonyl)thiazol-2-yl)acetamide
CID 42560685
N-[(4-methylmorpholin-2-yl)methyl]-1,3-thiazol-2-amine
CID 73994620
N-2-Thiazolyl-4-morpholineacetamide
CID 687268
4-(Thiazol-2-ylcarbamoylmethyl)-piperazine-1-carboxylic acid ethyl ester
CID 6498214
N-carbamoyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 29440114
2,4-dimethyl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide
CID 110268126

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate?
The IUPAC name of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate (CID 900890) is [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate.
What is the SMILES notation for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate?
The canonical SMILES for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate is O=C(CSC(=S)N1CCOCC1)Nc1nccs1.
What is the InChIKey of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate?
The InChIKey is ALKYSMOUWSAQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S3/c14-8(12-9-11-1-6-17-9)7-18-10(16)13-2-4-15-5-3-13/h1,6H,2-5,7H2,(H,11,12,14).
What are the key properties of [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate?
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate has a molecular weight of 303.43 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] morpholine-4-carbodithioate is sourced from PubChem (CID 900890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).