4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole

C9H11N3S — CID 130619188

IUPAC4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole
SMILESCCc1csc(Cn2cccn2)n1
InChIInChI=1S/C9H11N3S/c1-2-8-7-13-9(11-8)6-12-5-3-4-10-12/h3-5,7H,2,6H2,1H3
InChIKeyIRYCJRZRDANKEH-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.95
Rot. Bonds3

About 4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole

4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole (PubChem CID 130619188) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole
PubChem CID130619188
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole
SMILESCCc1csc(Cn2cccn2)n1
InChIInChI=1S/C9H11N3S/c1-2-8-7-13-9(11-8)6-12-5-3-4-10-12/h3-5,7H,2,6H2,1H3
InChIKeyIRYCJRZRDANKEH-UHFFFAOYSA-N
XLogP1.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 55073122
4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
CID 115681727
4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 43664440
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111850889
1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 91461332
(2R)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95278974
1-ethyl-3-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111850723
2,6-bis(pyrazol-1-ylmethyl)pyridine
CID 12975814
1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545
1-[(3-fluorothiophen-2-yl)methyl]pyrazole
CID 141287281
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
4-methyl-2-(pyrazol-1-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine
CID 59685582

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole (CID 130619188) is 4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole is CCc1csc(Cn2cccn2)n1.
What is the InChIKey of 4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole?
The InChIKey is IRYCJRZRDANKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-2-8-7-13-9(11-8)6-12-5-3-4-10-12/h3-5,7H,2,6H2,1H3.
What are the key properties of 4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole?
4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole has a molecular weight of 193.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 130619188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).