2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide

C13H14BrNOS — CID 174879579

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
SMILESBr.Cc1nc(CC(=O)c2ccccc2)sc1C
InChIInChI=1S/C13H13NOS.BrH/c1-9-10(2)16-13(14-9)8-12(15)11-6-4-3-5-7-11;/h3-7H,8H2,1-2H3;1H
InChIKeyPJNCMDXTHXQXKP-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.76
Rot. Bonds3

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide (PubChem CID 174879579) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
PubChem CID174879579
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
SMILESBr.Cc1nc(CC(=O)c2ccccc2)sc1C
InChIInChI=1S/C13H13NOS.BrH/c1-9-10(2)16-13(14-9)8-12(15)11-6-4-3-5-7-11;/h3-7H,8H2,1-2H3;1H
InChIKeyPJNCMDXTHXQXKP-UHFFFAOYSA-N
XLogP3.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115789519
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 115789501
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 115789426
1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116560381
1-[2-(aminomethyl)-4-pyridinyl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116601831
1-(3-bromo-4-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 82810356
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-oxoethyl]benzamide
CID 110443135
1-(4-amino-3-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116582034
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 115789520
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 115789405
5-amino-1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
CID 116570826

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide (CID 174879579) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide is Br.Cc1nc(CC(=O)c2ccccc2)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide?
The InChIKey is PJNCMDXTHXQXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS.BrH/c1-9-10(2)16-13(14-9)8-12(15)11-6-4-3-5-7-11;/h3-7H,8H2,1-2H3;1H.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide has a molecular weight of 312.23 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide is sourced from PubChem (CID 174879579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).