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

C7H8N2OS2 — CID 91124620

IUPACbis(4,5-dihydro-1,3-thiazol-2-yl)methanone
SMILESO=C(C1=NCCS1)C1=NCCS1
InChIInChI=1S/C7H8N2OS2/c10-5(6-8-1-3-11-6)7-9-2-4-12-7/h1-4H2
InChIKeyJLCMNZSFVOTXNB-UHFFFAOYSA-N
MW200.29 g/mol
LogP0.85
Rot. Bonds2

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

bis(4,5-dihydro-1,3-thiazol-2-yl)methanone (PubChem CID 91124620) has the molecular formula C7H8N2OS2 and a molecular weight of 200.29 g/mol. Its IUPAC name is bis(4,5-dihydro-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Namebis(4,5-dihydro-1,3-thiazol-2-yl)methanone
PubChem CID91124620
Molecular FormulaC7H8N2OS2
Molecular Weight200.29 g/mol
Exact Mass200.01
IUPAC Namebis(4,5-dihydro-1,3-thiazol-2-yl)methanone
SMILESO=C(C1=NCCS1)C1=NCCS1
InChIInChI=1S/C7H8N2OS2/c10-5(6-8-1-3-11-6)7-9-2-4-12-7/h1-4H2
InChIKeyJLCMNZSFVOTXNB-UHFFFAOYSA-N
XLogP0.85
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(4,5-dihydro-1,3-thiazol-2-yl)methanone?
The IUPAC name of bis(4,5-dihydro-1,3-thiazol-2-yl)methanone (CID 91124620) is bis(4,5-dihydro-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for bis(4,5-dihydro-1,3-thiazol-2-yl)methanone?
The canonical SMILES for bis(4,5-dihydro-1,3-thiazol-2-yl)methanone is O=C(C1=NCCS1)C1=NCCS1.
What is the InChIKey of bis(4,5-dihydro-1,3-thiazol-2-yl)methanone?
The InChIKey is JLCMNZSFVOTXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS2/c10-5(6-8-1-3-11-6)7-9-2-4-12-7/h1-4H2.
What are the key properties of bis(4,5-dihydro-1,3-thiazol-2-yl)methanone?
bis(4,5-dihydro-1,3-thiazol-2-yl)methanone has a molecular weight of 200.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dihydro-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 91124620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).