2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide

C7H4ClNO3S — CID 117259641

IUPAC2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide
SMILESO=S1(=O)C(c2ccco2)=CN=C1Cl
InChIInChI=1S/C7H4ClNO3S/c8-7-9-4-6(13(7,10)11)5-2-1-3-12-5/h1-4H
InChIKeyUZSVUJFNTFFRFT-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.60
Rot. Bonds1

About 2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide

2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide (PubChem CID 117259641) has the molecular formula C7H4ClNO3S and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide.

Molecular Properties

Compound Name2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide
PubChem CID117259641
Molecular FormulaC7H4ClNO3S
Molecular Weight217.63 g/mol
Exact Mass216.96
IUPAC Name2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide
SMILESO=S1(=O)C(c2ccco2)=CN=C1Cl
InChIInChI=1S/C7H4ClNO3S/c8-7-9-4-6(13(7,10)11)5-2-1-3-12-5/h1-4H
InChIKeyUZSVUJFNTFFRFT-UHFFFAOYSA-N
XLogP1.60
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide?
The IUPAC name of 2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide (CID 117259641) is 2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide.
What is the SMILES notation for 2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide?
The canonical SMILES for 2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide is O=S1(=O)C(c2ccco2)=CN=C1Cl.
What is the InChIKey of 2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide?
The InChIKey is UZSVUJFNTFFRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO3S/c8-7-9-4-6(13(7,10)11)5-2-1-3-12-5/h1-4H.
What are the key properties of 2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide?
2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide has a molecular weight of 217.63 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(furan-2-yl)-1,3-thiazole 1,1-dioxide is sourced from PubChem (CID 117259641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).