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

C9H9NOS — CID 104808022

IUPAC4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole
SMILESCc1csc(-c2occc2C)n1
InChIInChI=1S/C9H9NOS/c1-6-3-4-11-8(6)9-10-7(2)5-12-9/h3-5H,1-2H3
InChIKeyRMKBKZGLKILKEA-UHFFFAOYSA-N
MW179.24 g/mol
LogP3.02
Rot. Bonds1

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

4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole (PubChem CID 104808022) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole
PubChem CID104808022
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole
SMILESCc1csc(-c2occc2C)n1
InChIInChI=1S/C9H9NOS/c1-6-3-4-11-8(6)9-10-7(2)5-12-9/h3-5H,1-2H3
InChIKeyRMKBKZGLKILKEA-UHFFFAOYSA-N
XLogP3.02
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 104806392
2-[2-(3-methylfuran-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 104806296
4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909
2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole
CID 116891864
5-ethyl-2-(3-methylfuran-2-yl)-1,3-thiazole
CID 104808043
4-methyl-2-pyridin-4-yl-1,3-thiazole;hydrochloride
CID 54605031
4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116891883
2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 53443450
2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol
CID 136992886
2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 54593856
2-(4-methyl-1,3-thiazol-2-yl)benzenethiol
CID 175175322
5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 59259265

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole (CID 104808022) is 4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole is Cc1csc(-c2occc2C)n1.
What is the InChIKey of 4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole?
The InChIKey is RMKBKZGLKILKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-6-3-4-11-8(6)9-10-7(2)5-12-9/h3-5H,1-2H3.
What are the key properties of 4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole?
4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole has a molecular weight of 179.24 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylfuran-2-yl)-1,3-thiazole is sourced from PubChem (CID 104808022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).