5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine

C8H9BrN4S — CID 164653963

IUPAC5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1ncsc1Br
InChIInChI=1S/C8H9BrN4S/c1-2-4-5(12-13-8(4)10)6-7(9)14-3-11-6/h3H,2H2,1H3,(H3,10,12,13)
InChIKeyIHDSMDUXVKJZKB-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.44
Rot. Bonds2

About 5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine

5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine (PubChem CID 164653963) has the molecular formula C8H9BrN4S and a molecular weight of 273.16 g/mol. Its IUPAC name is 5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine
PubChem CID164653963
Molecular FormulaC8H9BrN4S
Molecular Weight273.16 g/mol
Exact Mass271.97
IUPAC Name5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine
SMILESCCc1c(N)n[nH]c1-c1ncsc1Br
InChIInChI=1S/C8H9BrN4S/c1-2-4-5(12-13-8(4)10)6-7(9)14-3-11-6/h3H,2H2,1H3,(H3,10,12,13)
InChIKeyIHDSMDUXVKJZKB-UHFFFAOYSA-N
XLogP2.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine (CID 164653963) is 5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine is CCc1c(N)n[nH]c1-c1ncsc1Br.
What is the InChIKey of 5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine?
The InChIKey is IHDSMDUXVKJZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4S/c1-2-4-5(12-13-8(4)10)6-7(9)14-3-11-6/h3H,2H2,1H3,(H3,10,12,13).
What are the key properties of 5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine?
5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine has a molecular weight of 273.16 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1,3-thiazol-4-yl)-4-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 164653963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).