4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole

C9H11N3S — CID 115662825

IUPAC4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
SMILESCCc1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C9H11N3S/c1-3-8-6-13-9(11-8)7-4-10-12(2)5-7/h4-6H,3H2,1-2H3
InChIKeyIDTDZRAVIDHKHV-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.11
Rot. Bonds2

About 4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole

4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole (PubChem CID 115662825) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
PubChem CID115662825
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
SMILESCCc1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C9H11N3S/c1-3-8-6-13-9(11-8)7-4-10-12(2)5-7/h4-6H,3H2,1-2H3
InChIKeyIDTDZRAVIDHKHV-UHFFFAOYSA-N
XLogP2.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-2-(1-methylpyrazol-4-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-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole (CID 115662825) is 4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole is CCc1csc(-c2cnn(C)c2)n1.
What is the InChIKey of 4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The InChIKey is IDTDZRAVIDHKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-3-8-6-13-9(11-8)7-4-10-12(2)5-7/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole has a molecular weight of 193.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 115662825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).