2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole

C8H8BrN3S — CID 62129944

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole
SMILESCc1nn(-c2nccs2)c(C)c1Br
InChIInChI=1S/C8H8BrN3S/c1-5-7(9)6(2)12(11-5)8-10-3-4-13-8/h3-4H,1-2H3
InChIKeyJHCLNDVRBPAYMH-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.71
Rot. Bonds1

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole (PubChem CID 62129944) has the molecular formula C8H8BrN3S and a molecular weight of 258.14 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole
PubChem CID62129944
Molecular FormulaC8H8BrN3S
Molecular Weight258.14 g/mol
Exact Mass256.96
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole
SMILESCc1nn(-c2nccs2)c(C)c1Br
InChIInChI=1S/C8H8BrN3S/c1-5-7(9)6(2)12(11-5)8-10-3-4-13-8/h3-4H,1-2H3
InChIKeyJHCLNDVRBPAYMH-UHFFFAOYSA-N
XLogP2.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 565992
CID 565992
CID 118016433
CID 118016433
CID 118016480
CID 118016480
CID 174731377
CID 174731377
CID 167531223
CID 167531223
CID 82879888
CID 82879888
CID 4773784
CID 4773784
CID 21052286
CID 21052286
CID 60982958
CID 60982958
CID 82881443
CID 82881443
CID 118016452
CID 118016452
CID 118016456
CID 118016456

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole (CID 62129944) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole is Cc1nn(-c2nccs2)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
The InChIKey is JHCLNDVRBPAYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S/c1-5-7(9)6(2)12(11-5)8-10-3-4-13-8/h3-4H,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole has a molecular weight of 258.14 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazole is sourced from PubChem (CID 62129944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).