2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole

C13H9BrN2S — CID 78907588

IUPAC2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESBrc1cccc(-c2nc(-c3ccc[nH]3)cs2)c1
InChIInChI=1S/C13H9BrN2S/c14-10-4-1-3-9(7-10)13-16-12(8-17-13)11-5-2-6-15-11/h1-8,15H
InChIKeyNPNUNHBDVDYMFY-UHFFFAOYSA-N
MW305.20 g/mol
LogP4.57
Rot. Bonds2

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

2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole (PubChem CID 78907588) has the molecular formula C13H9BrN2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
PubChem CID78907588
Molecular FormulaC13H9BrN2S
Molecular Weight305.20 g/mol
Exact Mass303.97
IUPAC Name2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESBrc1cccc(-c2nc(-c3ccc[nH]3)cs2)c1
InChIInChI=1S/C13H9BrN2S/c14-10-4-1-3-9(7-10)13-16-12(8-17-13)11-5-2-6-15-11/h1-8,15H
InChIKeyNPNUNHBDVDYMFY-UHFFFAOYSA-N
XLogP4.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromophenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole;hydrobromide
CID 137032183
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
CID 78913074
4-(3-bromophenyl)-2-(5-bromothiophen-2-yl)-1,3-thiazole
CID 79838979
4-(3-bromophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 78908720
4-(3-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907532
3-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-4-hydroxypyrrole-2,5-dione
CID 70529379
2-(3-bromophenyl)-4-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 79004047
[4-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 24512255
4-(3-bromophenyl)-2-[5-(3-bromophenyl)-1,3-thiazol-2-yl]-1,3-thiazole
CID 51045264
(3S)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methyl-1,3-dihydroindol-2-one
CID 9421303
2-(3-bromophenyl)-4-methoxy-1,3-thiazole
CID 116891841

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole?
The IUPAC name of 2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole (CID 78907588) is 2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole is Brc1cccc(-c2nc(-c3ccc[nH]3)cs2)c1.
What is the InChIKey of 2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole?
The InChIKey is NPNUNHBDVDYMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2S/c14-10-4-1-3-9(7-10)13-16-12(8-17-13)11-5-2-6-15-11/h1-8,15H.
What are the key properties of 2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole?
2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole has a molecular weight of 305.20 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole is sourced from PubChem (CID 78907588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).