2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole

C8H8BrN3S — CID 158183929

IUPAC2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole
SMILESCCc1cnc(-n2cc(Br)cn2)s1
InChIInChI=1S/C8H8BrN3S/c1-2-7-4-10-8(13-7)12-5-6(9)3-11-12/h3-5H,2H2,1H3
InChIKeyYXMOXOHWFJOXRV-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.65
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole

2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole (PubChem CID 158183929) has the molecular formula C8H8BrN3S and a molecular weight of 258.14 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole
PubChem CID158183929
Molecular FormulaC8H8BrN3S
Molecular Weight258.14 g/mol
Exact Mass256.96
IUPAC Name2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole
SMILESCCc1cnc(-n2cc(Br)cn2)s1
InChIInChI=1S/C8H8BrN3S/c1-2-7-4-10-8(13-7)12-5-6(9)3-11-12/h3-5H,2H2,1H3
InChIKeyYXMOXOHWFJOXRV-UHFFFAOYSA-N
XLogP2.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole (CID 158183929) is 2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole is CCc1cnc(-n2cc(Br)cn2)s1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole?
The InChIKey is YXMOXOHWFJOXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S/c1-2-7-4-10-8(13-7)12-5-6(9)3-11-12/h3-5H,2H2,1H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole?
2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole has a molecular weight of 258.14 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-5-ethyl-1,3-thiazole is sourced from PubChem (CID 158183929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).