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

C8H9BrN4S — CID 102769194

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-5-amine
SMILESCc1nn(-c2ncc(N)s2)c(C)c1Br
InChIInChI=1S/C8H9BrN4S/c1-4-7(9)5(2)13(12-4)8-11-3-6(10)14-8/h3H,10H2,1-2H3
InChIKeyFSUWSEVKPJZEFK-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.29
Rot. Bonds1

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

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-5-amine (PubChem CID 102769194) has the molecular formula C8H9BrN4S and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-5-amine
PubChem CID102769194
Molecular FormulaC8H9BrN4S
Molecular Weight273.16 g/mol
Exact Mass271.97
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-5-amine
SMILESCc1nn(-c2ncc(N)s2)c(C)c1Br
InChIInChI=1S/C8H9BrN4S/c1-4-7(9)5(2)13(12-4)8-11-3-6(10)14-8/h3H,10H2,1-2H3
InChIKeyFSUWSEVKPJZEFK-UHFFFAOYSA-N
XLogP2.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-5-amine?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-5-amine (CID 102769194) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-5-amine is Cc1nn(-c2ncc(N)s2)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-5-amine?
The InChIKey is FSUWSEVKPJZEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4S/c1-4-7(9)5(2)13(12-4)8-11-3-6(10)14-8/h3H,10H2,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-5-amine?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-5-amine has a molecular weight of 273.16 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 102769194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).