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

C7H9NO2S — CID 19974066

IUPAC2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(C2OCCO2)n1
InChIInChI=1S/C7H9NO2S/c1-5-4-11-6(8-5)7-9-2-3-10-7/h4,7H,2-3H2,1H3
InChIKeyBIDIFONCVHDMGM-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.50
Rot. Bonds1

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

2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole (PubChem CID 19974066) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole
PubChem CID19974066
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole
SMILESCc1csc(C2OCCO2)n1
InChIInChI=1S/C7H9NO2S/c1-5-4-11-6(8-5)7-9-2-3-10-7/h4,7H,2-3H2,1H3
InChIKeyBIDIFONCVHDMGM-UHFFFAOYSA-N
XLogP1.50
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole (CID 19974066) is 2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole is Cc1csc(C2OCCO2)n1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole?
The InChIKey is BIDIFONCVHDMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5-4-11-6(8-5)7-9-2-3-10-7/h4,7H,2-3H2,1H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole?
2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole has a molecular weight of 171.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 19974066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).