2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole

C11H14N2S — CID 130510091

IUPAC2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Cn2cc(C)c(C)c2)n1
InChIInChI=1S/C11H14N2S/c1-8-4-13(5-9(8)2)6-11-12-10(3)7-14-11/h4-5,7H,6H2,1-3H3
InChIKeyAECURMXMBRIBCJ-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.92
Rot. Bonds2

About 2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole

2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole (PubChem CID 130510091) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole
PubChem CID130510091
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Cn2cc(C)c(C)c2)n1
InChIInChI=1S/C11H14N2S/c1-8-4-13(5-9(8)2)6-11-12-10(3)7-14-11/h4-5,7H,6H2,1-3H3
InChIKeyAECURMXMBRIBCJ-UHFFFAOYSA-N
XLogP2.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-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

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole (CID 130510091) is 2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole is Cc1csc(Cn2cc(C)c(C)c2)n1.
What is the InChIKey of 2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole?
The InChIKey is AECURMXMBRIBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-8-4-13(5-9(8)2)6-11-12-10(3)7-14-11/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole?
2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole has a molecular weight of 206.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 130510091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).