2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole

C7H5BrN2OS2 — CID 106923485

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2nc(Br)cs2)n1
InChIInChI=1S/C7H5BrN2OS2/c1-4-2-11-6(9-4)13-7-10-5(8)3-12-7/h2-3H,1H3
InChIKeyZNIZUFFHMMMDCO-UHFFFAOYSA-N
MW277.17 g/mol
LogP3.35
Rot. Bonds2

About 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole

2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole (PubChem CID 106923485) has the molecular formula C7H5BrN2OS2 and a molecular weight of 277.17 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole
PubChem CID106923485
Molecular FormulaC7H5BrN2OS2
Molecular Weight277.17 g/mol
Exact Mass275.90
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(Sc2nc(Br)cs2)n1
InChIInChI=1S/C7H5BrN2OS2/c1-4-2-11-6(9-4)13-7-10-5(8)3-12-7/h2-3H,1H3
InChIKeyZNIZUFFHMMMDCO-UHFFFAOYSA-N
XLogP3.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-thiazole
CID 79400180
3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921558
5-bromo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921576
4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921569
2-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
CID 107279805
1-[5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-nitrothiophen-2-yl]ethanone
CID 103525445
2,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928551
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 106928531
5-bromo-N-ethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 114073937
5-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 106928532
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid
CID 106926061
(1S)-1-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanol
CID 106926965

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole (CID 106923485) is 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole is Cc1coc(Sc2nc(Br)cs2)n1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole?
The InChIKey is ZNIZUFFHMMMDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2OS2/c1-4-2-11-6(9-4)13-7-10-5(8)3-12-7/h2-3H,1H3.
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole?
2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole has a molecular weight of 277.17 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 106923485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).