5-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole

C6H6ClNO2S — CID 59331539

IUPAC5-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole
SMILESClc1cnc(C2OCCO2)s1
InChIInChI=1S/C6H6ClNO2S/c7-4-3-8-5(11-4)6-9-1-2-10-6/h3,6H,1-2H2
InChIKeyWUWYXXPBSVMFAU-UHFFFAOYSA-N
MW191.64 g/mol
LogP1.84
Rot. Bonds1

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

5-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole (PubChem CID 59331539) has the molecular formula C6H6ClNO2S and a molecular weight of 191.64 g/mol. Its IUPAC name is 5-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole
PubChem CID59331539
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64 g/mol
Exact Mass190.98
IUPAC Name5-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole
SMILESClc1cnc(C2OCCO2)s1
InChIInChI=1S/C6H6ClNO2S/c7-4-3-8-5(11-4)6-9-1-2-10-6/h3,6H,1-2H2
InChIKeyWUWYXXPBSVMFAU-UHFFFAOYSA-N
XLogP1.84
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole?
The IUPAC name of 5-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole (CID 59331539) is 5-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole?
The canonical SMILES for 5-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole is Clc1cnc(C2OCCO2)s1.
What is the InChIKey of 5-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole?
The InChIKey is WUWYXXPBSVMFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S/c7-4-3-8-5(11-4)6-9-1-2-10-6/h3,6H,1-2H2.
What are the key properties of 5-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole?
5-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole has a molecular weight of 191.64 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1,3-dioxolan-2-yl)-1,3-thiazole is sourced from PubChem (CID 59331539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).