imidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate

C11H15N3S3 — CID 598068

IUPACimidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCc1cn2ccsc2n1
InChIInChI=1S/C11H15N3S3/c1-3-13(4-2)11(15)17-8-9-7-14-5-6-16-10(14)12-9/h5-7H,3-4,8H2,1-2H3
InChIKeyYCVZLTSYGYXTIF-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.26
Rot. Bonds4

About imidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate

imidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate (PubChem CID 598068) has the molecular formula C11H15N3S3 and a molecular weight of 285.46 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate
PubChem CID598068
Molecular FormulaC11H15N3S3
Molecular Weight285.46 g/mol
Exact Mass285.04
IUPAC Nameimidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SCc1cn2ccsc2n1
InChIInChI=1S/C11H15N3S3/c1-3-13(4-2)11(15)17-8-9-7-14-5-6-16-10(14)12-9/h5-7H,3-4,8H2,1-2H3
InChIKeyYCVZLTSYGYXTIF-UHFFFAOYSA-N
XLogP3.26
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
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 imidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate?
The IUPAC name of imidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate (CID 598068) is imidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate.
What is the SMILES notation for imidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate?
The canonical SMILES for imidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate is CCN(CC)C(=S)SCc1cn2ccsc2n1.
What is the InChIKey of imidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate?
The InChIKey is YCVZLTSYGYXTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S3/c1-3-13(4-2)11(15)17-8-9-7-14-5-6-16-10(14)12-9/h5-7H,3-4,8H2,1-2H3.
What are the key properties of imidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate?
imidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate has a molecular weight of 285.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3]thiazol-6-ylmethyl N,N-diethylcarbamodithioate is sourced from PubChem (CID 598068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).