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

C10H12BrN3S — CID 65168801

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(-n2nc(C)c(Br)c2C)sc1C
InChIInChI=1S/C10H12BrN3S/c1-5-8(4)15-10(12-5)14-7(3)9(11)6(2)13-14/h1-4H3
InChIKeyXKXLBTKDJICSBH-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.32
Rot. Bonds1

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

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole (PubChem CID 65168801) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole
PubChem CID65168801
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(-n2nc(C)c(Br)c2C)sc1C
InChIInChI=1S/C10H12BrN3S/c1-5-8(4)15-10(12-5)14-7(3)9(11)6(2)13-14/h1-4H3
InChIKeyXKXLBTKDJICSBH-UHFFFAOYSA-N
XLogP3.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole (CID 65168801) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole is Cc1nc(-n2nc(C)c(Br)c2C)sc1C.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole?
The InChIKey is XKXLBTKDJICSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c1-5-8(4)15-10(12-5)14-7(3)9(11)6(2)13-14/h1-4H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-1,3-thiazole has a molecular weight of 286.20 g/mol, XLogP of 3.32, 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)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 65168801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).