2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole

C7H8ClNO2S — CID 130665277

IUPAC2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole
SMILESClCc1nc(C2OCCO2)cs1
InChIInChI=1S/C7H8ClNO2S/c8-3-6-9-5(4-12-6)7-10-1-2-11-7/h4,7H,1-3H2
InChIKeyCJTKGGLLTIMJPQ-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.93
Rot. Bonds2

About 2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole

2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole (PubChem CID 130665277) has the molecular formula C7H8ClNO2S and a molecular weight of 205.67 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole
PubChem CID130665277
Molecular FormulaC7H8ClNO2S
Molecular Weight205.67 g/mol
Exact Mass205.00
IUPAC Name2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole
SMILESClCc1nc(C2OCCO2)cs1
InChIInChI=1S/C7H8ClNO2S/c8-3-6-9-5(4-12-6)7-10-1-2-11-7/h4,7H,1-3H2
InChIKeyCJTKGGLLTIMJPQ-UHFFFAOYSA-N
XLogP1.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole?
The IUPAC name of 2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole (CID 130665277) is 2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole is ClCc1nc(C2OCCO2)cs1.
What is the InChIKey of 2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole?
The InChIKey is CJTKGGLLTIMJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO2S/c8-3-6-9-5(4-12-6)7-10-1-2-11-7/h4,7H,1-3H2.
What are the key properties of 2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole?
2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole has a molecular weight of 205.67 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(1,3-dioxolan-2-yl)-1,3-thiazole is sourced from PubChem (CID 130665277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).