5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole

C7H5BrClN3S — CID 130615886

IUPAC5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
SMILESClc1cnn(Cc2ncc(Br)s2)c1
InChIInChI=1S/C7H5BrClN3S/c8-6-2-10-7(13-6)4-12-3-5(9)1-11-12/h1-3H,4H2
InChIKeyOCDUYFSATZYJOC-UHFFFAOYSA-N
MW278.56 g/mol
LogP2.80
Rot. Bonds2

About 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole

5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole (PubChem CID 130615886) has the molecular formula C7H5BrClN3S and a molecular weight of 278.56 g/mol. Its IUPAC name is 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
PubChem CID130615886
Molecular FormulaC7H5BrClN3S
Molecular Weight278.56 g/mol
Exact Mass276.91
IUPAC Name5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
SMILESClc1cnn(Cc2ncc(Br)s2)c1
InChIInChI=1S/C7H5BrClN3S/c8-6-2-10-7(13-6)4-12-3-5(9)1-11-12/h1-3H,4H2
InChIKeyOCDUYFSATZYJOC-UHFFFAOYSA-N
XLogP2.80
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.56
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
CID 79765764
5-bromo-2-[(4-chloropyrazol-1-yl)methyl]pyridine
CID 104809162
2-[(4-bromopyrazol-1-yl)methyl]-5-chloro-1,3,4-thiadiazole
CID 80610694
2-(4-chloropyrazol-1-yl)ethylazanium
CID 7019314
5-chloro-4-[(4-chloropyrazol-1-yl)methyl]thiadiazole
CID 61034993
5-[(4-chloropyrazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 19620495
4-[(4-chloropyrazol-1-yl)methyl]-N-[(2-chloro-1,3-thiazol-5-yl)methyl]aniline
CID 168581843
1-(2-bromo-3,3,3-trifluoropropyl)-4-chloropyrazole
CID 64759722
2-(4-chloropyrazol-1-yl)ethanol
CID 7172186
1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole
CID 65326515
4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde
CID 19621619
5-bromo-2-(3-bromopropyl)-1,3-thiazole
CID 165443494

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole (CID 130615886) is 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole is Clc1cnn(Cc2ncc(Br)s2)c1.
What is the InChIKey of 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is OCDUYFSATZYJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN3S/c8-6-2-10-7(13-6)4-12-3-5(9)1-11-12/h1-3H,4H2.
What are the key properties of 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole?
5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 278.56 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 130615886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).