2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide

C14H18BrNO2S — CID 173113547

IUPAC2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
SMILESBr.COc1ccc(C(=O)CN2CSC(C)=C2C)cc1
InChIInChI=1S/C14H17NO2S.BrH/c1-10-11(2)18-9-15(10)8-14(16)12-4-6-13(17-3)7-5-12;/h4-7H,8-9H2,1-3H3;1H
InChIKeyCSKFCDIPAHITCQ-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.71
Rot. Bonds4

About 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide

2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide (PubChem CID 173113547) has the molecular formula C14H18BrNO2S and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
PubChem CID173113547
Molecular FormulaC14H18BrNO2S
Molecular Weight344.27 g/mol
Exact Mass343.02
IUPAC Name2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
SMILESBr.COc1ccc(C(=O)CN2CSC(C)=C2C)cc1
InChIInChI=1S/C14H17NO2S.BrH/c1-10-11(2)18-9-15(10)8-14(16)12-4-6-13(17-3)7-5-12;/h4-7H,8-9H2,1-3H3;1H
InChIKeyCSKFCDIPAHITCQ-UHFFFAOYSA-N
XLogP3.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrobromide
CID 173113848
1-[4-(diethylamino)phenyl]-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone
CID 91091827
2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 121200224
1-(4-bromophenyl)-2-[5-(2-hydroxyethyl)-4-methyl-2H-1,3-thiazol-3-yl]ethanone;hydrobromide
CID 173083924
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 103535688
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777262
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one
CID 62963387
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 44789313

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
The IUPAC name of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide (CID 173113547) is 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
The canonical SMILES for 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide is Br.COc1ccc(C(=O)CN2CSC(C)=C2C)cc1.
What is the InChIKey of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
The InChIKey is CSKFCDIPAHITCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S.BrH/c1-10-11(2)18-9-15(10)8-14(16)12-4-6-13(17-3)7-5-12;/h4-7H,8-9H2,1-3H3;1H.
What are the key properties of 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide?
2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide has a molecular weight of 344.27 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide is sourced from PubChem (CID 173113547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).