2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole

C11H8BrF2NOS — CID 107099338

IUPAC2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(Oc2cc(Br)cc(F)c2F)sc1C
InChIInChI=1S/C11H8BrF2NOS/c1-5-6(2)17-11(15-5)16-9-4-7(12)3-8(13)10(9)14/h3-4H,1-2H3
InChIKeyMBBMDVUWCZYDGW-UHFFFAOYSA-N
MW320.16 g/mol
LogP4.59
Rot. Bonds2

About 2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole

2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole (PubChem CID 107099338) has the molecular formula C11H8BrF2NOS and a molecular weight of 320.16 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole
PubChem CID107099338
Molecular FormulaC11H8BrF2NOS
Molecular Weight320.16 g/mol
Exact Mass318.95
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(Oc2cc(Br)cc(F)c2F)sc1C
InChIInChI=1S/C11H8BrF2NOS/c1-5-6(2)17-11(15-5)16-9-4-7(12)3-8(13)10(9)14/h3-4H,1-2H3
InChIKeyMBBMDVUWCZYDGW-UHFFFAOYSA-N
XLogP4.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-5-fluoro-2-methylaniline
CID 114417467
2-(5-bromo-2,3-difluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 107099157
2-[(4,5-dimethyl-1,3-thiazol-2-yl)oxy]-4-fluoroaniline
CID 65168674
N-[[5-(5-bromo-2,3-difluorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 107101107
4-(5-bromo-2,3-difluorophenoxy)-2,6-dimethylpyridine-3-carbonitrile
CID 107098249
2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole
CID 65169791
N-[[5-(5-bromo-2,3-difluorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 107101181
4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole
CID 107098783
2-(5-bromo-2,3-difluorophenoxy)-5-methylpyridine
CID 107099142
2-(5-bromo-2,3-difluorophenoxy)-6-methoxypyridine
CID 107099173
4-(5-bromo-2,3-difluorophenoxy)-2-methylpyridine
CID 107099516
4-(5-bromo-2,3-difluorophenoxy)-2-chlorothieno[2,3-d]pyrimidine
CID 107098065

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole (CID 107099338) is 2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole is Cc1nc(Oc2cc(Br)cc(F)c2F)sc1C.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole?
The InChIKey is MBBMDVUWCZYDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NOS/c1-5-6(2)17-11(15-5)16-9-4-7(12)3-8(13)10(9)14/h3-4H,1-2H3.
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole?
2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole has a molecular weight of 320.16 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 107099338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).