4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole

C14H16BrNOS — CID 116892178

IUPAC4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(C(C)(C)C)cc1-c1nc(Br)cs1
InChIInChI=1S/C14H16BrNOS/c1-14(2,3)9-5-6-11(17-4)10(7-9)13-16-12(15)8-18-13/h5-8H,1-4H3
InChIKeyYJEDNPKGZUXLGS-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.88
Rot. Bonds2

About 4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole

4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole (PubChem CID 116892178) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole
PubChem CID116892178
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(C(C)(C)C)cc1-c1nc(Br)cs1
InChIInChI=1S/C14H16BrNOS/c1-14(2,3)9-5-6-11(17-4)10(7-9)13-16-12(15)8-18-13/h5-8H,1-4H3
InChIKeyYJEDNPKGZUXLGS-UHFFFAOYSA-N
XLogP4.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376
2-[2-(2-methoxy-5-methylphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890545
5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808
[5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol
CID 82049731
4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine
CID 82118685
4-(5-tert-butyl-2-methoxyphenyl)aniline
CID 83655480
4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole
CID 116892207
6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 83779586
6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine
CID 82300014
4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 79400359
3-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]propan-1-amine
CID 116888272
2-[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888128

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole (CID 116892178) is 4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole is COc1ccc(C(C)(C)C)cc1-c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole?
The InChIKey is YJEDNPKGZUXLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-14(2,3)9-5-6-11(17-4)10(7-9)13-16-12(15)8-18-13/h5-8H,1-4H3.
What are the key properties of 4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole?
4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole has a molecular weight of 326.26 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 116892178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).