2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole

C14H12BrN3S — CID 79832283

IUPAC2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole
SMILESCCn1cc(-c2csc(-c3ccc(Br)cc3)n2)cn1
InChIInChI=1S/C14H12BrN3S/c1-2-18-8-11(7-16-18)13-9-19-14(17-13)10-3-5-12(15)6-4-10/h3-9H,2H2,1H3
InChIKeyGDNOXCNVTBIVMH-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.46
Rot. Bonds3

About 2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole

2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole (PubChem CID 79832283) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole
PubChem CID79832283
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole
SMILESCCn1cc(-c2csc(-c3ccc(Br)cc3)n2)cn1
InChIInChI=1S/C14H12BrN3S/c1-2-18-8-11(7-16-18)13-9-19-14(17-13)10-3-5-12(15)6-4-10/h3-9H,2H2,1H3
InChIKeyGDNOXCNVTBIVMH-UHFFFAOYSA-N
XLogP4.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-ethylpyrazol-4-yl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62944792
[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]-phenylmethanone
CID 63346809
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 78907479
2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde
CID 103570317
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22194213
2-(3-bromophenyl)-4-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 79004047
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane
CID 102334757
2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole
CID 107916033
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione
CID 8560111

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole (CID 79832283) is 2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole is CCn1cc(-c2csc(-c3ccc(Br)cc3)n2)cn1.
What is the InChIKey of 2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole?
The InChIKey is GDNOXCNVTBIVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-2-18-8-11(7-16-18)13-9-19-14(17-13)10-3-5-12(15)6-4-10/h3-9H,2H2,1H3.
What are the key properties of 2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole?
2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole has a molecular weight of 334.24 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(1-ethylpyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 79832283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).