bis(2H-1,3-thiazol-3-yl)methanone

C7H8N2OS2 — CID 66834987

IUPACbis(2H-1,3-thiazol-3-yl)methanone
SMILESO=C(N1C=CSC1)N1C=CSC1
InChIInChI=1S/C7H8N2OS2/c10-7(8-1-3-11-5-8)9-2-4-12-6-9/h1-4H,5-6H2
InChIKeyNHBFIFZGUQBIHG-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.06
Rot. Bonds

About bis(2H-1,3-thiazol-3-yl)methanone

bis(2H-1,3-thiazol-3-yl)methanone (PubChem CID 66834987) has the molecular formula C7H8N2OS2 and a molecular weight of 200.29 g/mol. Its IUPAC name is bis(2H-1,3-thiazol-3-yl)methanone.

Molecular Properties

Compound Namebis(2H-1,3-thiazol-3-yl)methanone
PubChem CID66834987
Molecular FormulaC7H8N2OS2
Molecular Weight200.29 g/mol
Exact Mass200.01
IUPAC Namebis(2H-1,3-thiazol-3-yl)methanone
SMILESO=C(N1C=CSC1)N1C=CSC1
InChIInChI=1S/C7H8N2OS2/c10-7(8-1-3-11-5-8)9-2-4-12-6-9/h1-4H,5-6H2
InChIKeyNHBFIFZGUQBIHG-UHFFFAOYSA-N
XLogP2.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(2H-1,3-thiazol-3-yl)methanone?
The IUPAC name of bis(2H-1,3-thiazol-3-yl)methanone (CID 66834987) is bis(2H-1,3-thiazol-3-yl)methanone.
What is the SMILES notation for bis(2H-1,3-thiazol-3-yl)methanone?
The canonical SMILES for bis(2H-1,3-thiazol-3-yl)methanone is O=C(N1C=CSC1)N1C=CSC1.
What is the InChIKey of bis(2H-1,3-thiazol-3-yl)methanone?
The InChIKey is NHBFIFZGUQBIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS2/c10-7(8-1-3-11-5-8)9-2-4-12-6-9/h1-4H,5-6H2.
What are the key properties of bis(2H-1,3-thiazol-3-yl)methanone?
bis(2H-1,3-thiazol-3-yl)methanone has a molecular weight of 200.29 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2H-1,3-thiazol-3-yl)methanone is sourced from PubChem (CID 66834987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).