4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole

C8H8N2S — CID 136952587

IUPAC4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESCc1csc(-c2cc[nH]c2)n1
InChIInChI=1S/C8H8N2S/c1-6-5-11-8(10-6)7-2-3-9-4-7/h2-5,9H,1H3
InChIKeyLHTPUGYRUVEOJC-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.45
Rot. Bonds1

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

4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole (PubChem CID 136952587) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole
PubChem CID136952587
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESCc1csc(-c2cc[nH]c2)n1
InChIInChI=1S/C8H8N2S/c1-6-5-11-8(10-6)7-2-3-9-4-7/h2-5,9H,1H3
InChIKeyLHTPUGYRUVEOJC-UHFFFAOYSA-N
XLogP2.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-(1H-pyrrol-3-yl)-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 4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole (CID 136952587) is 4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole is Cc1csc(-c2cc[nH]c2)n1.
What is the InChIKey of 4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The InChIKey is LHTPUGYRUVEOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-6-5-11-8(10-6)7-2-3-9-4-7/h2-5,9H,1H3.
What are the key properties of 4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole?
4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole has a molecular weight of 164.23 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazole is sourced from PubChem (CID 136952587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).