4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole

C14H12BrN3S — CID 79839270

IUPAC4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
SMILESCc1sc(-c2cnn(C)c2)nc1-c1cccc(Br)c1
InChIInChI=1S/C14H12BrN3S/c1-9-13(10-4-3-5-12(15)6-10)17-14(19-9)11-7-16-18(2)8-11/h3-8H,1-2H3
InChIKeyFDSWADRNVOYOGN-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.28
Rot. Bonds2

About 4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole

4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole (PubChem CID 79839270) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
PubChem CID79839270
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
SMILESCc1sc(-c2cnn(C)c2)nc1-c1cccc(Br)c1
InChIInChI=1S/C14H12BrN3S/c1-9-13(10-4-3-5-12(15)6-10)17-14(19-9)11-7-16-18(2)8-11/h3-8H,1-2H3
InChIKeyFDSWADRNVOYOGN-UHFFFAOYSA-N
XLogP4.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromophenyl)-4-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 79004047
4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
CID 79831802
2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole
CID 79831085
4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole
CID 79840119
4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole
CID 107932634
1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 79838986
4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole
CID 79838983
1-(4-bromo-2-methylphenyl)-4-(3-bromophenyl)pyrazole
CID 104508555
2-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 114079045
1-[(3-bromophenyl)methyl]-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
CID 83222787
2,4-bis(4-bromophenyl)-5-methyl-1,3-thiazole
CID 78907473
4-(3-bromophenyl)-2-(cyclohexylsulfanylmethyl)-5-methyl-1,3-thiazole
CID 79831350

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole (CID 79839270) is 4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole is Cc1sc(-c2cnn(C)c2)nc1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
The InChIKey is FDSWADRNVOYOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-9-13(10-4-3-5-12(15)6-10)17-14(19-9)11-7-16-18(2)8-11/h3-8H,1-2H3.
What are the key properties of 4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole?
4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole has a molecular weight of 334.24 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 79839270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).