4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole

C11H9NO2S — CID 2548441

IUPAC4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C11H9NO2S/c1-7-12-9(5-15-7)8-2-3-10-11(4-8)14-6-13-10/h2-5H,6H2,1H3
InChIKeySRJDCZPWIQZNQO-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.85
Rot. Bonds1

About 4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole

4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole (PubChem CID 2548441) has the molecular formula C11H9NO2S and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole
PubChem CID2548441
Molecular FormulaC11H9NO2S
Molecular Weight219.26 g/mol
Exact Mass219.04
IUPAC Name4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C11H9NO2S/c1-7-12-9(5-15-7)8-2-3-10-11(4-8)14-6-13-10/h2-5H,6H2,1H3
InChIKeySRJDCZPWIQZNQO-UHFFFAOYSA-N
XLogP2.85
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Benzo(1,3)dioxol-5-yl-thiazol-2-ylamine
CID 727580
4-(Chloromethyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole hydrochloride
CID 16196271
2-(1,3-Benzodioxol-5-yl)-1,3-benzothiazole
CID 781196
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
4-(Chloromethyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole hydrochloride
CID 16196882
4-(Chloromethyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole hydrochloride
CID 16195991
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylthiazole
CID 2742348
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 3878872
2-[[2-(4-Ethoxy-3-methoxyphenyl)-4-thiazolyl]methylthio]-5-methyl-1,3,4-thiadiazole
CID 4875681
4-(4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl)-5-methylsulfanyl-thiophene-2-carboxamidine
CID 10248900
2-(1,3-Benzodioxol-5-yl)-5-fluoro-1,3-benzothiazole
CID 11694720
4-[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537289

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole (CID 2548441) is 4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole is Cc1nc(-c2ccc3c(c2)OCO3)cs1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole?
The InChIKey is SRJDCZPWIQZNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-7-12-9(5-15-7)8-2-3-10-11(4-8)14-6-13-10/h2-5H,6H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole?
4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole has a molecular weight of 219.26 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 2548441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).