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

C11H8BrN5S — CID 83222579

IUPAC1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(Br)cn2)nc1-c1nccs1
InChIInChI=1S/C11H8BrN5S/c12-7-1-2-9(15-5-7)17-6-8(13)10(16-17)11-14-3-4-18-11/h1-6H,13H2
InChIKeySYCPOPJTLJAVAK-UHFFFAOYSA-N
MW322.19 g/mol
LogP2.74
Rot. Bonds2

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

1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine (PubChem CID 83222579) has the molecular formula C11H8BrN5S and a molecular weight of 322.19 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine
PubChem CID83222579
Molecular FormulaC11H8BrN5S
Molecular Weight322.19 g/mol
Exact Mass320.97
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(Br)cn2)nc1-c1nccs1
InChIInChI=1S/C11H8BrN5S/c12-7-1-2-9(15-5-7)17-6-8(13)10(16-17)11-14-3-4-18-11/h1-6H,13H2
InChIKeySYCPOPJTLJAVAK-UHFFFAOYSA-N
XLogP2.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine (CID 83222579) is 1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine is Nc1cn(-c2ccc(Br)cn2)nc1-c1nccs1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine?
The InChIKey is SYCPOPJTLJAVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5S/c12-7-1-2-9(15-5-7)17-6-8(13)10(16-17)11-14-3-4-18-11/h1-6H,13H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine?
1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine has a molecular weight of 322.19 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83222579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).