1,3-thiazol-4-yl(thietan-3-yl)methanone

C7H7NOS2 — CID 164644469

IUPAC1,3-thiazol-4-yl(thietan-3-yl)methanone
SMILESO=C(c1cscn1)C1CSC1
InChIInChI=1S/C7H7NOS2/c9-7(5-1-10-2-5)6-3-11-4-8-6/h3-5H,1-2H2
InChIKeyCNOPMODWYYDUDD-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.69
Rot. Bonds2

About 1,3-thiazol-4-yl(thietan-3-yl)methanone

1,3-thiazol-4-yl(thietan-3-yl)methanone (PubChem CID 164644469) has the molecular formula C7H7NOS2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,3-thiazol-4-yl(thietan-3-yl)methanone.

Molecular Properties

Compound Name1,3-thiazol-4-yl(thietan-3-yl)methanone
PubChem CID164644469
Molecular FormulaC7H7NOS2
Molecular Weight185.27 g/mol
Exact Mass185.00
IUPAC Name1,3-thiazol-4-yl(thietan-3-yl)methanone
SMILESO=C(c1cscn1)C1CSC1
InChIInChI=1S/C7H7NOS2/c9-7(5-1-10-2-5)6-3-11-4-8-6/h3-5H,1-2H2
InChIKeyCNOPMODWYYDUDD-UHFFFAOYSA-N
XLogP1.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl(thietan-3-yl)methanone?
The IUPAC name of 1,3-thiazol-4-yl(thietan-3-yl)methanone (CID 164644469) is 1,3-thiazol-4-yl(thietan-3-yl)methanone.
What is the SMILES notation for 1,3-thiazol-4-yl(thietan-3-yl)methanone?
The canonical SMILES for 1,3-thiazol-4-yl(thietan-3-yl)methanone is O=C(c1cscn1)C1CSC1.
What is the InChIKey of 1,3-thiazol-4-yl(thietan-3-yl)methanone?
The InChIKey is CNOPMODWYYDUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS2/c9-7(5-1-10-2-5)6-3-11-4-8-6/h3-5H,1-2H2.
What are the key properties of 1,3-thiazol-4-yl(thietan-3-yl)methanone?
1,3-thiazol-4-yl(thietan-3-yl)methanone has a molecular weight of 185.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl(thietan-3-yl)methanone is sourced from PubChem (CID 164644469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).