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

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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).