N-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine

C8H9BrN4S — CID 130563769

IUPACN-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESBrc1cnn(CCNc2nccs2)c1
InChIInChI=1S/C8H9BrN4S/c9-7-5-12-13(6-7)3-1-10-8-11-2-4-14-8/h2,4-6H,1,3H2,(H,10,11)
InChIKeyCBLUHJUIJIDMQX-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.21
Rot. Bonds4

About N-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine

N-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 130563769) has the molecular formula C8H9BrN4S and a molecular weight of 273.16 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID130563769
Molecular FormulaC8H9BrN4S
Molecular Weight273.16 g/mol
Exact Mass271.97
IUPAC NameN-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESBrc1cnn(CCNc2nccs2)c1
InChIInChI=1S/C8H9BrN4S/c9-7-5-12-13(6-7)3-1-10-8-11-2-4-14-8/h2,4-6H,1,3H2,(H,10,11)
InChIKeyCBLUHJUIJIDMQX-UHFFFAOYSA-N
XLogP2.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine (CID 130563769) is N-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine is Brc1cnn(CCNc2nccs2)c1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is CBLUHJUIJIDMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4S/c9-7-5-12-13(6-7)3-1-10-8-11-2-4-14-8/h2,4-6H,1,3H2,(H,10,11).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine?
N-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 273.16 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130563769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).