bis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate

C10H12N2O4S2 — CID 174382943

IUPACbis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate
SMILESO=C(CCC(=O)OC1=NCCS1)OC1=NCCS1
InChIInChI=1S/C10H12N2O4S2/c13-7(15-9-11-3-5-17-9)1-2-8(14)16-10-12-4-6-18-10/h1-6H2
InChIKeyUCUZIGNUVCSGHZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.06
Rot. Bonds3

About bis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate

bis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate (PubChem CID 174382943) has the molecular formula C10H12N2O4S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is bis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate.

Molecular Properties

Compound Namebis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate
PubChem CID174382943
Molecular FormulaC10H12N2O4S2
Molecular Weight288.35 g/mol
Exact Mass288.02
IUPAC Namebis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate
SMILESO=C(CCC(=O)OC1=NCCS1)OC1=NCCS1
InChIInChI=1S/C10H12N2O4S2/c13-7(15-9-11-3-5-17-9)1-2-8(14)16-10-12-4-6-18-10/h1-6H2
InChIKeyUCUZIGNUVCSGHZ-UHFFFAOYSA-N
XLogP1.06
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate?
The IUPAC name of bis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate (CID 174382943) is bis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate.
What is the SMILES notation for bis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate?
The canonical SMILES for bis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate is O=C(CCC(=O)OC1=NCCS1)OC1=NCCS1.
What is the InChIKey of bis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate?
The InChIKey is UCUZIGNUVCSGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S2/c13-7(15-9-11-3-5-17-9)1-2-8(14)16-10-12-4-6-18-10/h1-6H2.
What are the key properties of bis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate?
bis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate has a molecular weight of 288.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dihydro-1,3-thiazol-2-yl) butanedioate is sourced from PubChem (CID 174382943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).