4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole

C12H12BrNOS — CID 79402988

IUPAC4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole
SMILESCC(C)Oc1ccc(-c2nc(Br)cs2)cc1
InChIInChI=1S/C12H12BrNOS/c1-8(2)15-10-5-3-9(4-6-10)12-14-11(13)7-16-12/h3-8H,1-2H3
InChIKeyXSMQPJDNQNYCJM-UHFFFAOYSA-N
MW298.21 g/mol
LogP4.36
Rot. Bonds3

About 4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole

4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole (PubChem CID 79402988) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is 4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole
PubChem CID79402988
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole
SMILESCC(C)Oc1ccc(-c2nc(Br)cs2)cc1
InChIInChI=1S/C12H12BrNOS/c1-8(2)15-10-5-3-9(4-6-10)12-14-11(13)7-16-12/h3-8H,1-2H3
InChIKeyXSMQPJDNQNYCJM-UHFFFAOYSA-N
XLogP4.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-(4-phenoxyphenyl)-1,3-thiazole
CID 116892186
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 94798658
N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 61281503
piperazin-1-yl-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119402859
2-(4-propan-2-yloxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119453009
[(3R)-3-aminopyrrolidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119412347
2-(4-propan-2-yloxyphenyl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71861930
3-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]butan-2-one
CID 62034527
N-methyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-amine
CID 62351380
2-(4-propan-2-yloxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46065722
4-(4-propan-2-yloxyphenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62945283
[3-(oxolan-3-yl)azetidin-1-yl]-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-4-yl]methanone
CID 167991109

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole (CID 79402988) is 4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole is CC(C)Oc1ccc(-c2nc(Br)cs2)cc1.
What is the InChIKey of 4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole?
The InChIKey is XSMQPJDNQNYCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c1-8(2)15-10-5-3-9(4-6-10)12-14-11(13)7-16-12/h3-8H,1-2H3.
What are the key properties of 4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole?
4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole has a molecular weight of 298.21 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-propan-2-yloxyphenyl)-1,3-thiazole is sourced from PubChem (CID 79402988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).