4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole

C9H9Br2N3S — CID 114692722

IUPAC4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(Cn2nc(Br)cc2Br)cs1
InChIInChI=1S/C9H9Br2N3S/c1-2-9-12-6(5-15-9)4-14-8(11)3-7(10)13-14/h3,5H,2,4H2,1H3
InChIKeyQJAOGNMWLOVERA-UHFFFAOYSA-N
MW351.07 g/mol
LogP3.48
Rot. Bonds3

About 4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole

4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole (PubChem CID 114692722) has the molecular formula C9H9Br2N3S and a molecular weight of 351.07 g/mol. Its IUPAC name is 4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole
PubChem CID114692722
Molecular FormulaC9H9Br2N3S
Molecular Weight351.07 g/mol
Exact Mass348.89
IUPAC Name4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole
SMILESCCc1nc(Cn2nc(Br)cc2Br)cs1
InChIInChI=1S/C9H9Br2N3S/c1-2-9-12-6(5-15-9)4-14-8(11)3-7(10)13-14/h3,5H,2,4H2,1H3
InChIKeyQJAOGNMWLOVERA-UHFFFAOYSA-N
XLogP3.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.07
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54956367
(2-ethyl-1,3-thiazol-4-yl)methanethiol
CID 39099702
2-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61484583
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55072800
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719402
5-bromo-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-7-methylindole-2,3-dione
CID 61484664
4-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole
CID 55733208
[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62446597
2-ethyl-4-pentyl-1,3-thiazole
CID 130290438
3-bromo-4-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 82840747
ethyl 5-(aminomethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazole-4-carboxylate
CID 103111178

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole?
The IUPAC name of 4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole (CID 114692722) is 4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole is CCc1nc(Cn2nc(Br)cc2Br)cs1.
What is the InChIKey of 4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole?
The InChIKey is QJAOGNMWLOVERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2N3S/c1-2-9-12-6(5-15-9)4-14-8(11)3-7(10)13-14/h3,5H,2,4H2,1H3.
What are the key properties of 4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole?
4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole has a molecular weight of 351.07 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dibromopyrazol-1-yl)methyl]-2-ethyl-1,3-thiazole is sourced from PubChem (CID 114692722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).