2-(5-chloro-1,3-thiazol-2-yl)oxazinane

C7H9ClN2OS — CID 130614325

IUPAC2-(5-chloro-1,3-thiazol-2-yl)oxazinane
SMILESClc1cnc(N2CCCCO2)s1
InChIInChI=1S/C7H9ClN2OS/c8-6-5-9-7(12-6)10-3-1-2-4-11-10/h5H,1-4H2
InChIKeyGFXWHJYGUKNXDE-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.33
Rot. Bonds1

About 2-(5-chloro-1,3-thiazol-2-yl)oxazinane

2-(5-chloro-1,3-thiazol-2-yl)oxazinane (PubChem CID 130614325) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)oxazinane.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)oxazinane
PubChem CID130614325
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)oxazinane
SMILESClc1cnc(N2CCCCO2)s1
InChIInChI=1S/C7H9ClN2OS/c8-6-5-9-7(12-6)10-3-1-2-4-11-10/h5H,1-4H2
InChIKeyGFXWHJYGUKNXDE-UHFFFAOYSA-N
XLogP2.33
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)oxazinane?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)oxazinane (CID 130614325) is 2-(5-chloro-1,3-thiazol-2-yl)oxazinane.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)oxazinane?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)oxazinane is Clc1cnc(N2CCCCO2)s1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)oxazinane?
The InChIKey is GFXWHJYGUKNXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c8-6-5-9-7(12-6)10-3-1-2-4-11-10/h5H,1-4H2.
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)oxazinane?
2-(5-chloro-1,3-thiazol-2-yl)oxazinane has a molecular weight of 204.68 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)oxazinane is sourced from PubChem (CID 130614325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).