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

C8H7NOS — CID 15704191

IUPAC4-(furan-2-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccco2)cs1
InChIInChI=1S/C8H7NOS/c1-6-9-7(5-11-6)8-3-2-4-10-8/h2-5H,1H3
InChIKeyAGIHEIJGDJIILG-UHFFFAOYSA-N
MW165.22 g/mol
LogP2.71
Rot. Bonds1

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

4-(furan-2-yl)-2-methyl-1,3-thiazole (PubChem CID 15704191) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(furan-2-yl)-2-methyl-1,3-thiazole
PubChem CID15704191
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name4-(furan-2-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccco2)cs1
InChIInChI=1S/C8H7NOS/c1-6-9-7(5-11-6)8-3-2-4-10-8/h2-5H,1H3
InChIKeyAGIHEIJGDJIILG-UHFFFAOYSA-N
XLogP2.71
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(furan-2-yl)-2-methyl-1,3-thiazole (CID 15704191) is 4-(furan-2-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(furan-2-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(furan-2-yl)-2-methyl-1,3-thiazole is Cc1nc(-c2ccco2)cs1.
What is the InChIKey of 4-(furan-2-yl)-2-methyl-1,3-thiazole?
The InChIKey is AGIHEIJGDJIILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c1-6-9-7(5-11-6)8-3-2-4-10-8/h2-5H,1H3.
What are the key properties of 4-(furan-2-yl)-2-methyl-1,3-thiazole?
4-(furan-2-yl)-2-methyl-1,3-thiazole has a molecular weight of 165.22 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 15704191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).