2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole

C12H11BrFNOS — CID 131867399

IUPAC2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
SMILESCCc1sc(Br)nc1-c1ccc(OC)c(F)c1
InChIInChI=1S/C12H11BrFNOS/c1-3-10-11(15-12(13)17-10)7-4-5-9(16-2)8(14)6-7/h4-6H,3H2,1-2H3
InChIKeyNJVQXEGFWRRCBL-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.28
Rot. Bonds3

About 2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole

2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole (PubChem CID 131867399) has the molecular formula C12H11BrFNOS and a molecular weight of 316.20 g/mol. Its IUPAC name is 2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
PubChem CID131867399
Molecular FormulaC12H11BrFNOS
Molecular Weight316.20 g/mol
Exact Mass314.97
IUPAC Name2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
SMILESCCc1sc(Br)nc1-c1ccc(OC)c(F)c1
InChIInChI=1S/C12H11BrFNOS/c1-3-10-11(15-12(13)17-10)7-4-5-9(16-2)8(14)6-7/h4-6H,3H2,1-2H3
InChIKeyNJVQXEGFWRRCBL-UHFFFAOYSA-N
XLogP4.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 82049536
[2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82131960
[2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 131867498
2-ethyl-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-amine
CID 65096550
5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
CID 62920233
3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine
CID 65096402
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096029
4-chloro-6-ethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 65096680
2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 79079653
2-cyclopentyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-amine
CID 65096025
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66295747

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole (CID 131867399) is 2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole is CCc1sc(Br)nc1-c1ccc(OC)c(F)c1.
What is the InChIKey of 2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole?
The InChIKey is NJVQXEGFWRRCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNOS/c1-3-10-11(15-12(13)17-10)7-4-5-9(16-2)8(14)6-7/h4-6H,3H2,1-2H3.
What are the key properties of 2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole?
2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole has a molecular weight of 316.20 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 131867399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).