5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole

C8H6BrNOS — CID 82130320

IUPAC5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole
SMILESCc1nc(-c2ccco2)sc1Br
InChIInChI=1S/C8H6BrNOS/c1-5-7(9)12-8(10-5)6-3-2-4-11-6/h2-4H,1H3
InChIKeyJIVVXBPVNVLKEO-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.47
Rot. Bonds1

About 5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole

5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole (PubChem CID 82130320) has the molecular formula C8H6BrNOS and a molecular weight of 244.11 g/mol. Its IUPAC name is 5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole
PubChem CID82130320
Molecular FormulaC8H6BrNOS
Molecular Weight244.11 g/mol
Exact Mass242.94
IUPAC Name5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole
SMILESCc1nc(-c2ccco2)sc1Br
InChIInChI=1S/C8H6BrNOS/c1-5-7(9)12-8(10-5)6-3-2-4-11-6/h2-4H,1H3
InChIKeyJIVVXBPVNVLKEO-UHFFFAOYSA-N
XLogP3.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(bromomethyl)-2-(furan-2-yl)-4-methyl-1,3-thiazole
CID 82427297
2-(furan-2-yl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 82427290
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62699846
5-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82427306
2-bromo-5-(furan-2-yl)-1,3,4-thiadiazole
CID 63383548
1-[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-2-methylbutan-1-one
CID 170582471
5-bromo-2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 116887939
[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 94285993
5-bromo-4-methyl-2-pyridin-2-yl-1,3-thiazole
CID 75532062
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 121123854
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanesulfonamide
CID 121123926

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole (CID 82130320) is 5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole is Cc1nc(-c2ccco2)sc1Br.
What is the InChIKey of 5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole?
The InChIKey is JIVVXBPVNVLKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNOS/c1-5-7(9)12-8(10-5)6-3-2-4-11-6/h2-4H,1H3.
What are the key properties of 5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole?
5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole has a molecular weight of 244.11 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(furan-2-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 82130320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).