4-ethenyl-2-pyrazol-1-yl-1,3-thiazole

C8H7N3S — CID 175746832

IUPAC4-ethenyl-2-pyrazol-1-yl-1,3-thiazole
SMILESC=Cc1csc(-n2cccn2)n1
InChIInChI=1S/C8H7N3S/c1-2-7-6-12-8(10-7)11-5-3-4-9-11/h2-6H,1H2
InChIKeyMUEMTKWKQOTIKT-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.97
Rot. Bonds2

About 4-ethenyl-2-pyrazol-1-yl-1,3-thiazole

4-ethenyl-2-pyrazol-1-yl-1,3-thiazole (PubChem CID 175746832) has the molecular formula C8H7N3S and a molecular weight of 177.23 g/mol. Its IUPAC name is 4-ethenyl-2-pyrazol-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-ethenyl-2-pyrazol-1-yl-1,3-thiazole
PubChem CID175746832
Molecular FormulaC8H7N3S
Molecular Weight177.23 g/mol
Exact Mass177.04
IUPAC Name4-ethenyl-2-pyrazol-1-yl-1,3-thiazole
SMILESC=Cc1csc(-n2cccn2)n1
InChIInChI=1S/C8H7N3S/c1-2-7-6-12-8(10-7)11-5-3-4-9-11/h2-6H,1H2
InChIKeyMUEMTKWKQOTIKT-UHFFFAOYSA-N
XLogP1.97
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 66520615
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4-(4-methylphenyl)-2-pyrazol-1-yl-1,3-thiazole
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1-(4-ethenylphenyl)pyrazole
CID 59449537
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CID 90572214
2-phenyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572150
N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
CID 71802186
4-methyl-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
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5-ethenylpyrazolo[1,5-a]pyrimidine
CID 70224896
formaldehyde;6-pyrazol-1-ylpyridine-2-carbaldehyde
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CID 90572154

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-pyrazol-1-yl-1,3-thiazole?
The IUPAC name of 4-ethenyl-2-pyrazol-1-yl-1,3-thiazole (CID 175746832) is 4-ethenyl-2-pyrazol-1-yl-1,3-thiazole.
What is the SMILES notation for 4-ethenyl-2-pyrazol-1-yl-1,3-thiazole?
The canonical SMILES for 4-ethenyl-2-pyrazol-1-yl-1,3-thiazole is C=Cc1csc(-n2cccn2)n1.
What is the InChIKey of 4-ethenyl-2-pyrazol-1-yl-1,3-thiazole?
The InChIKey is MUEMTKWKQOTIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S/c1-2-7-6-12-8(10-7)11-5-3-4-9-11/h2-6H,1H2.
What are the key properties of 4-ethenyl-2-pyrazol-1-yl-1,3-thiazole?
4-ethenyl-2-pyrazol-1-yl-1,3-thiazole has a molecular weight of 177.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-pyrazol-1-yl-1,3-thiazole is sourced from PubChem (CID 175746832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).