1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione

C11H6ClNO3S2 — CID 87254996

IUPAC1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2ccc(Cl)s2)c2ccsc12
InChIInChI=1S/C11H6ClNO3S2/c12-8-2-1-6(18-8)5-13-7-3-4-17-9(7)10(14)16-11(13)15/h1-4H,5H2
InChIKeySBPLICLCSBHNNC-UHFFFAOYSA-N
MW299.76 g/mol
LogP2.78
Rot. Bonds2

About 1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione

1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione (PubChem CID 87254996) has the molecular formula C11H6ClNO3S2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione
PubChem CID87254996
Molecular FormulaC11H6ClNO3S2
Molecular Weight299.76 g/mol
Exact Mass298.95
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione
SMILESO=c1oc(=O)n(Cc2ccc(Cl)s2)c2ccsc12
InChIInChI=1S/C11H6ClNO3S2/c12-8-2-1-6(18-8)5-13-7-3-4-17-9(7)10(14)16-11(13)15/h1-4H,5H2
InChIKeySBPLICLCSBHNNC-UHFFFAOYSA-N
XLogP2.78
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione (CID 87254996) is 1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione is O=c1oc(=O)n(Cc2ccc(Cl)s2)c2ccsc12.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione?
The InChIKey is SBPLICLCSBHNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO3S2/c12-8-2-1-6(18-8)5-13-7-3-4-17-9(7)10(14)16-11(13)15/h1-4H,5H2.
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione?
1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione has a molecular weight of 299.76 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]thieno[3,2-d][1,3]oxazine-2,4-dione is sourced from PubChem (CID 87254996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).